diff --git a/input/basis b/input/basis
index b2b2293..a93cea1 100644
--- a/input/basis
+++ b/input/basis
@@ -1,30 +1,49 @@
-1   6
+1   9
 S   8
-  1   1469.0000000              0.0007660        
-  2    220.5000000              0.0058920        
-  3     50.2600000              0.0296710        
-  4     14.2400000              0.1091800        
-  5      4.5810000              0.2827890        
-  6      1.5800000              0.4531230        
-  7      0.5640000              0.2747740        
-  8      0.0734500              0.0097510        
+  1   6665.0000000              0.0006920        
+  2   1000.0000000              0.0053290        
+  3    228.0000000              0.0270770        
+  4     64.7100000              0.1017180        
+  5     21.0600000              0.2747400        
+  6      7.4950000              0.4485640        
+  7      2.7970000              0.2850740        
+  8      0.5215000              0.0152040        
 S   8
-  1   1469.0000000             -0.0001200        
-  2    220.5000000             -0.0009230        
-  3     50.2600000             -0.0046890        
-  4     14.2400000             -0.0176820        
-  5      4.5810000             -0.0489020        
-  6      1.5800000             -0.0960090        
-  7      0.5640000             -0.1363800        
-  8      0.0734500              0.5751020        
+  1   6665.0000000             -0.0001460        
+  2   1000.0000000             -0.0011540        
+  3    228.0000000             -0.0057250        
+  4     64.7100000             -0.0233120        
+  5     21.0600000             -0.0639550        
+  6      7.4950000             -0.1499810        
+  7      2.7970000             -0.1272620        
+  8      0.5215000              0.5445290        
 S   1
-  1      0.0280500              1.0000000        
+  1      0.1596000              1.0000000        
+S   1
+  1      0.0469000              1.0000000        
 P   3
-  1      1.5340000              0.0227840        
-  2      0.2749000              0.1391070        
-  3      0.0736200              0.5003750        
+  1      9.4390000              0.0381090        
+  2      2.0020000              0.2094800        
+  3      0.5456000              0.5085570        
 P   1
-  1      0.0240300              1.0000000        
+  1      0.1517000              1.0000000        
+P   1
+  1      0.0404100              1.0000000        
 D   1
-  1      0.1239000              1.0000000
+  1      0.5500000              1.0000000        
+D   1
+  1      0.1510000              1.0000000
+2    5
+S   3
+  1     13.0100000              0.0196850        
+  2      1.9620000              0.1379770        
+  3      0.4446000              0.4781480        
+S   1
+  1      0.1220000              1.0000000        
+S   1
+  1      0.0297400              1.0000000        
+P   1
+  1      0.7270000              1.0000000        
+P   1
+  1      0.1410000              1.0000000
 
diff --git a/input/molecule b/input/molecule
index 058d6dd..e2a4fd3 100644
--- a/input/molecule
+++ b/input/molecule
@@ -1,4 +1,5 @@
 # nAt nEla nElb nCore nRyd
-  1   2     1   0     0
+ 2   4     3   0     0
 # Znuc   x            y           z
-  Li     0.0          0.0         0.0
+  C     0.           0.         -0.16245872
+  H     0.           0.         1.93436816
diff --git a/input/molecule.xyz b/input/molecule.xyz
index c9a5a65..7a4f218 100644
--- a/input/molecule.xyz
+++ b/input/molecule.xyz
@@ -1,3 +1,4 @@
-  1
+  2
 
- Li     0.0000000000    0.0000000000    0.0000000000
+ C      0.0000000000    0.0000000000   -0.0859694585
+ H      0.0000000000    0.0000000000    1.0236236215
diff --git a/input/options b/input/options
index 1371bb5..d9b23c7 100644
--- a/input/options
+++ b/input/options
@@ -1,5 +1,5 @@
 # HF: maxSCF thresh   DIIS n_diis guess_type ortho_type
-       64    0.0000001  T     5      1          1
+       64    0.00001  T     5      1          1
 # MP: 
       
 # CC: maxSCF thresh   DIIS n_diis
diff --git a/src/QuAcK/print_transition_vectors.f90 b/src/QuAcK/print_transition_vectors.f90
index 76ee45e..3c30621 100644
--- a/src/QuAcK/print_transition_vectors.f90
+++ b/src/QuAcK/print_transition_vectors.f90
@@ -55,6 +55,10 @@ subroutine print_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nS,dipole_int,
     end do
     f(:,:) = sqrt(2d0)*f(:,:)
  
+    do ia=1,nS
+      os(ia) = 2d0/3d0*Omega(ia)*sum(f(ia,:)**2)
+    end do
+      
     if(debug) then
 
       write(*,*) '------------------------'
@@ -63,10 +67,6 @@ subroutine print_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nS,dipole_int,
       call matout(nS,ncart,f)
       write(*,*)
   
-      do ia=1,nS
-        os(ia) = 2d0/3d0*Omega(ia)*sum(f(ia,:)**2)
-      end do
-      
       write(*,*) '----------------------'
       write(*,*) ' Oscillator strengths '
       write(*,*) '----------------------'
diff --git a/src/QuAcK/print_unrestricted_transition_vectors.f90 b/src/QuAcK/print_unrestricted_transition_vectors.f90
index 27c49ad..256f83c 100644
--- a/src/QuAcK/print_unrestricted_transition_vectors.f90
+++ b/src/QuAcK/print_unrestricted_transition_vectors.f90
@@ -70,6 +70,10 @@ subroutine print_unrestricted_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,n
       end do
     end do
  
+    do ia=1,nSt
+      os(ia) = 2d0/3d0*Omega(ia)*sum(f(ia,:)**2)
+    end do
+      
     if(debug) then
 
       write(*,*) '----------------'
@@ -78,10 +82,6 @@ subroutine print_unrestricted_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,n
       call matout(nSt,ncart,f(:,:))
       write(*,*)
   
-      do ia=1,nSt
-        os(ia) = 2d0/3d0*Omega(ia)*sum(f(ia,:)**2)
-      end do
-      
       write(*,*) '----------------------'
       write(*,*) ' Oscillator strengths '
       write(*,*) '----------------------'