%chk=000216827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216827

0 1
S 0.142755 0.396261 -1.843072
S 3.586018 0.330762 -2.310285
P 2.079052 0.176414 -1.141934
O 2.013056 1.236694 0.129438
O 1.887032 -1.269044 -0.354796
O -2.457292 0.503689 -1.910692
N -3.216048 0.034648 0.189254
C -4.635491 0.125571 -0.257530
C -2.965640 -0.348969 1.600065
C -2.201971 0.238233 -0.744292
C -0.770360 0.129027 -0.276263
C -5.263391 1.456112 0.150533
C -2.706761 -1.848320 1.745258
C 3.255886 1.852438 0.588044
C 3.073609 -2.077920 -0.088138
C 2.792245 2.747831 1.722946
C 2.498214 -3.323029 0.562660
H -4.663102 0.019767 -1.371782
H -5.205055 -0.728912 0.167018
H -2.106077 0.234615 2.000616
H -3.848257 -0.053528 2.213323
H -0.541280 -0.863155 0.168495
H -0.511366 0.898943 0.480437
H -6.298634 1.523248 -0.204389
H -4.715818 2.303389 -0.285687
H -5.273121 1.599336 1.235766
H -3.546472 -2.443669 1.364757
H -1.815631 -2.168797 1.190403
H -2.557426 -2.123284 2.795660
H 3.950883 1.066783 0.934811
H 3.707358 2.433807 -0.240137
H 3.588505 -2.310534 -1.041403
H 3.745671 -1.525146 0.592721
H 3.624105 3.325347 2.141551
H 2.335176 2.164788 2.532518
H 2.027635 3.457088 1.374411
H 3.280808 -4.059309 0.777777
H 1.755147 -3.799103 -0.093362
H 1.983235 -3.083074 1.501397


%chk=000216827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216827

0 1
S 0.233251 0.512946 -2.003467
S 3.927103 0.148717 -2.289957
P 2.258480 0.030624 -1.076259
O 2.320889 0.991553 0.394021
O 1.888733 -1.485970 -0.309700
O -2.538162 0.932078 -1.884396
N -3.173603 0.020284 0.163353
C -4.603339 0.281404 -0.143156
C -2.854388 -0.632957 1.453725
C -2.225101 0.385629 -0.775271
C -0.760693 0.105950 -0.430343
C -5.072195 1.660623 0.365745
C -2.949443 -2.174394 1.395512
C 2.874461 2.371194 0.295887
C 3.008911 -2.220815 0.353584
C 2.942423 2.909130 1.722861
C 2.449441 -3.586292 0.740443
H -4.723765 0.229270 -1.238259
H -5.202960 -0.528924 0.312338
H -1.845264 -0.328999 1.781700
H -3.559367 -0.242042 2.211859
H -0.568451 -0.945649 -0.169012
H -0.388226 0.752370 0.382593
H -6.144282 1.806489 0.139509
H -4.502305 2.462848 -0.132640
H -4.937861 1.759316 1.458862
H -3.958829 -2.499396 1.086186
H -2.222893 -2.590976 0.675663
H -2.739889 -2.609620 2.389815
H 3.873915 2.324957 -0.177369
H 2.204528 2.982304 -0.340296
H 3.850515 -2.306681 -0.360333
H 3.336283 -1.639817 1.236029
H 3.345255 3.938865 1.714201
H 3.601930 2.281117 2.345710
H 1.940457 2.931593 2.184668
H 3.234318 -4.182577 1.241777
H 2.109468 -4.135012 -0.153939
H 1.597855 -3.480143 1.434451


