%chk=000230010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230010

0 1
S 2.126922 0.048335 -0.628681
O -3.968947 1.973751 -1.885061
O -2.336484 0.536664 -2.370032
O 3.837618 1.844050 2.010137
O 2.085197 0.529530 2.480060
N -0.567090 -0.052496 -0.365942
C 0.617570 -0.757336 0.098477
C 0.724066 -2.157205 -0.442020
C -1.315042 0.814012 0.417128
C -2.449392 1.476550 -0.142346
C 0.962712 -3.211012 0.454980
C 0.604644 -2.422203 -1.814661
C -0.972287 1.071943 1.776774
C 2.247739 1.597182 0.291218
C -3.199494 2.361503 0.668961
C 1.076750 -4.519265 -0.020525
C 0.718467 -3.734523 -2.283109
C -1.730567 1.939879 2.536209
C 0.954068 -4.783085 -1.389080
C -2.852162 2.597535 1.985878
C -2.849659 1.253011 -1.523158
C 2.652855 1.239722 1.678487
H 0.704149 -0.725218 1.225672
H -0.855174 -0.216427 -1.350915
H 1.062068 -3.012476 1.522292
H 0.423983 -1.613426 -2.524937
H -0.109251 0.567059 2.224788
H 1.289516 2.163094 0.284376
H 2.996380 2.247284 -0.218100
H -4.068794 2.859270 0.224805
H 1.261729 -5.335225 0.676919
H 0.623444 -3.937527 -3.349331
H -1.462963 2.124995 3.579162
H 1.042586 -5.804213 -1.757120
H -3.434394 3.278195 2.600671
H -4.224343 1.802595 -2.832717
H 4.152778 1.604578 2.925240


%chk=000230010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230010

0 1
S 2.328823 0.072696 -0.597599
O -3.940770 1.918763 -2.031512
O -2.149857 0.509361 -2.405860
O 4.118857 1.752836 2.070133
O 2.143300 0.731072 2.728856
N -0.515673 0.000795 -0.352816
C 0.639703 -0.741130 0.062837
C 0.693499 -2.162139 -0.472808
C -1.301503 0.853278 0.417651
C -2.460408 1.485377 -0.181945
C 1.192441 -3.193484 0.361705
C 0.281011 -2.480431 -1.792245
C -1.025205 1.126383 1.795034
C 2.344845 1.659931 0.448711
C -3.285625 2.341836 0.603858
C 1.269946 -4.522738 -0.107378
C 0.361117 -3.809969 -2.261793
C -1.862446 1.971934 2.537931
C 0.853767 -4.835416 -1.422257
C -3.002372 2.588343 1.953331
C -2.793891 1.246998 -1.589745
C 2.806502 1.332730 1.846741
H 0.757113 -0.728601 1.155494
H -0.831093 -0.085915 -1.334884
H 1.522477 -2.952035 1.379197
H -0.102459 -1.703556 -2.463772
H -0.146491 0.695164 2.283193
H 1.325152 2.073767 0.458238
H 3.034846 2.353400 -0.051317
H -4.151520 2.801374 0.119639
H 1.652781 -5.311141 0.549960
H 0.039035 -4.044307 -3.282340
H -1.621125 2.158728 3.590646
H 0.912971 -5.866283 -1.788569
H -3.644872 3.245809 2.546481
H -4.080724 1.693343 -2.989843
H 4.407045 1.472328 2.981544


