%chk=000187933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187933

0 1
S -0.418966 2.661358 -0.413797
O -0.426198 -2.380718 0.168374
N -2.157094 0.629591 -0.044693
N -2.166863 -0.799502 -0.150139
N -0.003481 -0.041453 -0.065075
C -3.384323 1.308079 -0.548686
C -3.307376 -1.445646 0.568335
C -4.601785 0.696037 0.163794
C -4.614597 -0.833369 0.038855
C -0.841621 1.091728 -0.209456
C -0.802983 -1.244875 0.055410
C 1.441284 -0.024201 -0.017872
C 2.148456 -1.007474 -0.730638
C 2.114596 0.947157 0.738799
C 3.541823 -1.005275 -0.689629
C 3.509777 0.939019 0.761162
C 4.233994 -0.031989 0.050719
C 5.727315 -0.021749 0.070094
H -3.470752 1.202311 -1.653942
H -3.285870 2.396806 -0.319797
H -3.229051 -1.320134 1.670755
H -3.249029 -2.536861 0.345634
H -5.528571 1.123907 -0.265549
H -4.596757 0.988293 1.233951
H -5.471643 -1.257827 0.596396
H -4.761986 -1.124135 -1.021859
H 1.615586 -1.772062 -1.298078
H 1.564667 1.706264 1.298079
H 4.094207 -1.765892 -1.239673
H 4.037550 1.698153 1.337220
H 6.154633 -1.025129 -0.059524
H 6.120855 0.606232 -0.743932
H 6.130302 0.378056 1.010362


%chk=000187933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187933

0 1
S -0.452038 2.770722 -0.491113
O -0.419987 -2.365872 0.322512
N -2.162085 0.667587 -0.029946
N -2.140584 -0.759224 0.016750
N -0.033264 0.010745 -0.013863
C -3.391611 1.327784 -0.500444
C -3.311560 -1.472039 0.556003
C -4.621768 0.663660 0.153573
C -4.596927 -0.871719 -0.049177
C -0.866516 1.151544 -0.156774
C -0.812625 -1.189678 0.125509
C 1.406427 0.005197 -0.000721
C 2.103552 -1.005779 -0.702127
C 2.120428 0.984974 0.726729
C 3.512818 -1.028128 -0.672600
C 3.529750 0.953386 0.735810
C 4.252154 -0.047887 0.037173
C 5.770495 -0.056985 0.031481
H -3.448727 1.253681 -1.606443
H -3.295154 2.393788 -0.238064
H -3.329965 -1.384295 1.662752
H -3.180094 -2.535489 0.298015
H -5.534314 1.098207 -0.291829
H -4.636541 0.897874 1.235567
H -5.472558 -1.341002 0.433614
H -4.643134 -1.108926 -1.129412
H 1.549821 -1.776229 -1.244906
H 1.578966 1.765323 1.267034
H 4.045543 -1.819871 -1.212342
H 4.076344 1.718274 1.300005
H 6.169172 -1.078621 -0.096944
H 6.167843 0.557959 -0.799579
H 6.182236 0.355739 0.969356


