%chk=000229597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229597

0 1
S 3.767820 -0.107439 -0.007814
O 3.913402 -0.787400 1.260611
O 3.906672 -0.836464 -1.249469
N 4.980349 1.119905 -0.035055
C -1.456482 -0.248796 0.002340
C -0.242644 0.690078 -0.015535
C -2.773340 0.539093 -0.009920
C 1.072022 -0.103743 -0.004250
C -3.986791 -0.400020 0.008104
C 2.285989 0.827936 -0.022067
C -5.305863 0.385441 -0.003369
C -6.516650 -0.544896 0.014009
H -1.417238 -0.900775 0.896879
H -1.419346 -0.931753 -0.868867
H -0.284249 1.341201 -0.910133
H -0.281389 1.371065 0.856680
H -2.813085 1.220864 0.861496
H -2.815267 1.189734 -0.904722
H 1.102863 -0.755187 0.895993
H 1.100037 -0.785293 -0.882042
H -3.949963 -1.082724 -0.862615
H -3.947277 -1.052390 0.901661
H 2.237372 1.527270 0.839952
H 2.234971 1.496898 -0.907737
H -5.346071 1.066695 0.869029
H -5.348496 1.036858 -0.898150
H -6.526354 -1.178690 0.908107
H -7.453282 0.023688 0.005169
H -6.528251 -1.209232 -0.857613
H 5.567651 1.186935 -0.864616
H 5.571990 1.219342 0.788145


%chk=000229597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229597

0 1
S 3.915728 -0.117066 -0.000325
O 4.035675 -0.855190 1.448085
O 4.036724 -0.941126 -1.401530
N 5.171398 1.247875 -0.041177
C -1.483523 -0.221073 -0.002475
C -0.256522 0.719281 -0.018609
C -2.828197 0.540608 -0.007031
C 1.080102 -0.067005 -0.007693
C -4.057607 -0.395878 0.005617
C 2.271059 0.889806 -0.030077
C -5.404102 0.363821 0.003294
C -6.627046 -0.578682 0.014561
H -1.433884 -0.873350 0.893705
H -1.440205 -0.895484 -0.882423
H -0.301909 1.366578 -0.918460
H -0.299492 1.394137 0.860844
H -2.872294 1.213996 0.874582
H -2.876749 1.195744 -0.902088
H 1.128384 -0.702147 0.897635
H 1.123128 -0.737637 -0.887195
H -4.016807 -1.068811 -0.876412
H -4.010881 -1.052744 0.899413
H 2.355380 1.529154 0.863049
H 2.358969 1.483356 -0.953899
H -5.444330 1.035446 0.885285
H -5.449532 1.020788 -0.889437
H -6.620777 -1.225071 0.912696
H -7.576530 -0.012199 0.012599
H -6.625762 -1.239718 -0.872851
H 5.740049 1.124061 -0.897485
H 5.738650 1.176734 0.822004


