%chk=000234969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234969

0 1
S -4.049047 -1.514654 -0.237530
O 1.332453 -2.976253 0.329211
O -2.060505 3.036075 -0.889355
N 0.873176 -0.662805 -0.024928
N -0.863721 -2.162598 0.086684
N -0.552282 1.378540 -0.482829
N -2.972110 0.902750 -0.574518
C -0.324002 0.050709 -0.225733
C -1.407365 -0.868974 -0.152693
C 0.536859 -2.085198 0.163366
C 2.204315 -0.116467 0.038914
C -2.722954 -0.383582 -0.334431
C 2.426750 1.114675 0.677354
C 3.261190 -0.841208 -0.536587
C -1.954240 1.856665 -0.671585
C 3.723492 1.634858 0.703329
C 4.549701 -0.305501 -0.490072
C 4.782065 0.933028 0.118175
C -5.522999 -0.525712 -0.522187
H -1.415355 -2.999567 0.196386
H 0.218200 2.046297 -0.579383
H 1.619772 1.647691 1.176136
H 3.080697 -1.818052 -0.992296
H 3.908611 2.592320 1.191859
H 5.378685 -0.860486 -0.931764
H 5.789540 1.346459 0.143254
H -5.632423 0.272744 0.227965
H -6.397001 -1.187418 -0.470959
H -5.502504 -0.033033 -1.506581


%chk=000234969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234969

0 1
S -4.109679 -1.583961 -0.202709
O 1.382285 -3.031951 0.424129
O -2.057895 3.037994 -0.948064
N 0.857863 -0.697579 0.012948
N -0.843042 -2.182745 0.151081
N -0.563881 1.308045 -0.476291
N -2.955224 0.879616 -0.578881
C -0.337098 -0.009628 -0.184843
C -1.406237 -0.912607 -0.100819
C 0.555161 -2.112437 0.225998
C 2.181932 -0.138458 0.044590
C -2.720104 -0.414518 -0.310342
C 2.410234 1.083045 0.727107
C 3.245991 -0.814158 -0.597920
C -1.921690 1.813945 -0.687872
C 3.705325 1.644475 0.733882
C 4.539358 -0.251261 -0.566636
C 4.772583 0.981418 0.086228
C -5.542266 -0.423099 -0.573806
H -1.348241 -3.058882 0.263945
H 0.192578 1.989054 -0.584924
H 1.600901 1.566491 1.285930
H 3.062265 -1.769695 -1.095288
H 3.881042 2.588535 1.260122
H 5.365036 -0.775894 -1.058505
H 5.777646 1.415506 0.099444
H -5.562801 0.377167 0.177759
H -6.446298 -1.048879 -0.523997
H -5.406742 0.011764 -1.573066


