%chk=000207228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207228

0 1
S -4.001552 1.451929 0.560297
O -3.882907 2.135295 -0.990601
O -5.353650 1.737179 0.965874
O -2.881635 1.986312 1.277070
O 6.371595 -1.272275 1.040839
O 6.843441 0.653679 0.173023
N 0.699084 0.803414 -0.794210
N -0.316457 -0.051762 -0.478762
N 2.940288 1.420156 -0.741451
N 6.060518 -0.227100 0.492747
C -3.794607 -0.205392 0.167075
C -2.618018 -0.680148 -0.436343
C -4.831228 -1.099206 0.468208
C -2.481203 -2.048293 -0.719480
C -4.695637 -2.458513 0.182971
C -3.517400 -2.931254 -0.407763
C -1.539958 0.271965 -0.796098
C 2.003787 0.453240 -0.406033
C 2.353179 -0.761219 0.237663
C 4.646188 -0.011564 0.192900
C 3.686580 -0.986861 0.536571
C 4.229888 1.182625 -0.444048
H -5.756862 -0.729607 0.929141
H -1.561727 -2.417369 -1.177473
H -5.504507 -3.149722 0.419783
H -3.407743 -3.995620 -0.627325
H -1.872692 1.197827 -1.305179
H 1.580533 -1.489065 0.493412
H 0.542578 1.738673 -1.204651
H 4.010245 -1.909252 1.035585
H 4.962064 1.963234 -0.717840
H -4.483988 2.869793 -1.180902


%chk=000207228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207228

0 1
S -4.487535 1.600538 -0.018267
O -3.937878 1.887384 -1.772019
O -6.097211 1.713238 0.074641
O -3.569720 2.540344 0.932813
O 6.629488 -1.541549 -0.222983
O 7.012302 0.712582 -0.146556
N 0.748246 0.837939 0.020131
N -0.255033 -0.093373 0.012200
N 2.954459 1.522249 -0.009030
N 6.223095 -0.313064 -0.165134
C -3.975478 -0.217181 0.026225
C -2.609657 -0.603941 0.053708
C -5.056180 -1.112922 0.023743
C -2.372307 -2.012479 0.084118
C -4.777920 -2.495785 0.059372
C -3.431760 -2.936303 0.086421
C -1.497759 0.353300 0.050260
C 2.086391 0.459860 -0.028335
C 2.500369 -0.902764 -0.092749
C 4.776572 -0.070711 -0.118083
C 3.874709 -1.165130 -0.138007
C 4.280978 1.254245 -0.053414
H -6.082554 -0.733007 -0.001482
H -1.331317 -2.347099 0.105348
H -5.601328 -3.216171 0.062696
H -3.212538 -4.008789 0.111824
H -1.734400 1.428747 0.096020
H 1.753965 -1.698341 -0.106268
H 0.567084 1.853956 0.063828
H 4.267566 -2.183936 -0.188350
H 4.969370 2.103494 -0.037709
H -4.185824 2.825767 -2.019960


