%chk=000283172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283172

0 1
S 1.952247 -0.034170 -0.000118
O -2.854676 -1.475963 -0.000398
N -1.360594 0.303556 -0.000116
N -1.262043 -3.311380 -0.000488
N 1.072896 -2.574109 -0.000341
C -0.635956 -0.903718 -0.000231
C -2.637366 -0.034015 -0.000221
C -3.859284 0.754847 -0.000206
C -1.581403 -1.997340 -0.000375
C 3.513973 -0.974401 -0.000166
C 0.722540 -1.257854 -0.000260
C 4.567969 0.081417 -0.000056
C -5.115415 0.122208 -0.000487
C -3.772353 2.158788 0.000084
C 5.066887 0.580617 1.214169
C 5.067193 0.580568 -1.214175
C -6.277154 0.895233 -0.000459
C -4.942330 2.921150 0.000103
C 6.057185 1.566124 1.210523
C 6.057492 1.566074 -1.210319
C 0.090938 -3.530005 -0.000259
C -6.191976 2.292461 -0.000164
C 6.554457 2.059899 0.000154
H 3.567148 -1.644214 -0.882684
H 3.567120 -1.644359 0.882243
H -5.174881 -0.969006 -0.000708
H -2.793016 2.644761 0.000299
H 4.681066 0.203217 2.160194
H 4.681611 0.203130 -2.160282
H -7.252152 0.408532 -0.000662
H -4.878930 4.009101 0.000338
H 6.441408 1.951088 2.154090
H 6.441953 1.950999 -2.153805
H 0.421584 -4.583014 -0.000823
H -7.102332 2.892041 -0.000130
H 7.325993 2.827536 0.000236


%chk=000283172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283172

0 1
S 1.851268 0.193276 -0.000346
O -2.923544 -1.553538 0.000049
N -1.507158 0.297452 -0.000459
N -1.233697 -3.314845 -0.000524
N 1.067625 -2.457815 -0.000672
C -0.742852 -0.884207 -0.000491
C -2.776723 -0.113896 -0.000312
C -3.996912 0.681231 -0.000239
C -1.597561 -2.021313 -0.000415
C 3.489236 -0.821512 -0.000350
C 0.651140 -1.153692 -0.000439
C 4.652139 0.138477 -0.000080
C -5.277221 0.062695 0.000042
C -3.893048 2.100574 -0.000442
C 5.208570 0.597758 1.222058
C 5.208942 0.597994 -1.221959
C -6.439218 0.860127 0.000109
C -5.060226 2.887603 -0.000368
C 6.300785 1.493056 1.223555
C 6.301159 1.493292 -1.222949
C 0.131479 -3.454758 -0.001332
C -6.335754 2.271501 -0.000093
C 6.850129 1.943550 0.000430
H 3.450259 -1.459959 -0.895298
H 3.450078 -1.460252 0.894383
H -5.348646 -1.029178 0.000203
H -2.898732 2.558311 -0.000655
H 4.782847 0.251773 2.171653
H 4.783508 0.252195 -2.171750
H -7.424909 0.383035 0.000322
H -4.979361 3.979710 -0.000526
H 6.722843 1.837416 2.174167
H 6.723508 1.837834 -2.173367
H 0.513426 -4.478821 0.000007
H -7.241751 2.887382 -0.000038
H 7.698171 2.637346 0.000626


