%chk=000297244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297244

0 1
S -0.371434 2.458982 -0.333775
O -1.729361 1.270802 0.002538
O -0.570477 3.398908 0.724798
O -0.686062 2.810960 -1.682772
O -4.311945 0.961874 0.130217
N -2.718572 -0.755077 0.097857
C 0.973137 1.503527 -0.166160
C 0.941873 0.130498 -0.154435
C 2.279803 2.240926 -0.066487
C 3.285977 1.467186 0.802981
C -2.711489 -2.249369 0.175410
C -4.188036 -2.660471 0.357676
C 2.226580 -0.614930 -0.123776
C -1.523918 -0.024909 -0.023408
C 3.384548 0.037548 0.356354
C -5.016853 -1.371045 0.325231
C -0.270669 -0.610179 -0.131807
C -4.055499 -0.207079 0.178928
C 2.325047 -1.941427 -0.571947
C 4.602438 -0.653063 0.418467
C 3.543834 -2.619992 -0.520804
C 4.680176 -1.977297 -0.017751
H 2.702110 2.381471 -1.086376
H 2.147646 3.255470 0.365793
H 2.961498 1.492124 1.867237
H 4.271283 1.971580 0.776197
H -2.084740 -2.584706 1.029150
H -2.281723 -2.675433 -0.756210
H -4.330571 -3.199011 1.312272
H -4.503902 -3.357001 -0.439812
H -5.622053 -1.239431 1.244262
H -5.740771 -1.360566 -0.514126
H -0.191630 -1.693649 -0.166030
H 1.443094 -2.445361 -0.971215
H 5.491886 -0.155436 0.800612
H 3.610217 -3.647251 -0.873281
H 5.630156 -2.509374 0.028793


%chk=000297244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297244

0 1
S -0.032192 2.904173 -0.858162
O -1.962986 1.442551 0.051319
O 0.595947 4.411770 -0.634646
O -0.819680 2.557293 -2.246271
O -4.651992 0.689335 -0.200509
N -2.762611 -0.750676 0.148231
C 1.132434 1.689157 -0.252040
C 0.849826 0.287723 -0.284039
C 2.357891 2.279956 0.404467
C 3.092681 1.222320 1.257331
C -2.553005 -2.210370 0.371688
C -3.923868 -2.704023 0.903120
C 2.106673 -0.540722 -0.256700
C -1.709713 0.193261 -0.052429
C 3.227643 -0.085052 0.497498
C -4.937261 -1.740044 0.252604
C -0.387671 -0.375879 -0.312865
C -4.159472 -0.429960 0.046784
C 2.201451 -1.752643 -0.988701
C 4.404476 -0.865572 0.531597
C 3.382223 -2.523252 -0.948020
C 4.486139 -2.083112 -0.181147
H 3.021971 2.691175 -0.386112
H 2.075010 3.151231 1.024191
H 2.519235 1.051129 2.190920
H 4.083058 1.608975 1.555615
H -1.741634 -2.380471 1.098532
H -2.289224 -2.713597 -0.579699
H -3.955892 -2.603062 2.001938
H -4.101112 -3.761681 0.649577
H -5.835870 -1.546057 0.858649
H -5.276239 -2.097941 -0.738451
H -0.327107 -1.466343 -0.351674
H 1.366478 -2.075823 -1.619857
H 5.262288 -0.516026 1.117978
H 3.446849 -3.452299 -1.524174
H 5.406854 -2.675643 -0.151943


