%chk=000211519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211519

0 1
S 1.908237 -1.863764 -0.895866
O 1.628699 -1.952009 -2.305283
O 2.416058 -3.035391 -0.223259
O -2.635249 1.506230 -0.243492
O -2.019364 0.219741 1.517108
N 0.508271 -1.316532 -0.044221
C 0.665509 0.041019 0.533561
C 2.091877 0.482032 0.221670
C 2.838106 -0.444912 -0.528278
C -0.359903 1.000030 -0.106945
C 2.665031 1.680145 0.634437
C 4.151787 -0.183090 -0.881495
C -1.717072 0.821510 0.512819
C 3.998206 1.945729 0.278456
C 4.735390 1.028230 -0.472652
C -4.042113 1.447154 0.157244
C -4.648066 0.144169 -0.351469
C -6.172141 0.140800 -0.182617
C -6.785509 -1.164581 -0.682266
H 0.503171 0.022820 1.648529
H -0.125255 -1.934761 0.463055
H -0.425903 0.817815 -1.207693
H -0.042211 2.059162 -0.013068
H 2.102515 2.399711 1.225674
H 4.733145 -0.899841 -1.466073
H 4.460128 2.882292 0.596505
H 5.767891 1.247812 -0.742587
H -4.441978 2.344393 -0.348319
H -4.106933 1.550894 1.254087
H -4.199606 -0.713756 0.191794
H -4.376253 -0.006002 -1.415747
H -6.616750 0.994988 -0.730763
H -6.433906 0.290518 0.884046
H -6.575217 -1.330892 -1.745352
H -6.395816 -2.030671 -0.133915
H -7.874673 -1.163192 -0.559827


%chk=000211519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211519

0 1
S 2.148999 -2.134283 -0.215823
O 2.138388 -2.955807 -1.610970
O 2.656802 -2.914678 1.123763
O -2.707859 1.515113 0.236779
O -1.947366 -0.464125 1.209247
N 0.536288 -1.235632 0.018258
C 0.757824 0.128944 0.569935
C 2.147850 0.565804 0.102031
C 2.993066 -0.457678 -0.351303
C -0.370298 1.044880 0.047986
C 2.664587 1.880566 0.122143
C 4.306573 -0.269423 -0.798050
C -1.728155 0.591990 0.564696
C 3.986309 2.116512 -0.321863
C 4.803822 1.055089 -0.782834
C -4.118150 1.171332 0.620725
C -4.789982 0.326154 -0.468052
C -6.266551 0.021187 -0.117542
C -6.967102 -0.809598 -1.214175
H 0.735526 0.129665 1.681708
H -0.141637 -1.803435 0.552334
H -0.382362 1.016165 -1.056725
H -0.210329 2.096522 0.348595
H 2.049505 2.714949 0.476447
H 4.918224 -1.106418 -1.148120
H 4.382977 3.137093 -0.309840
H 5.822766 1.257810 -1.127704
H -4.601603 2.155289 0.735191
H -4.097328 0.637688 1.587920
H -4.235319 -0.623453 -0.589344
H -4.739435 0.865533 -1.433562
H -6.816662 0.972312 0.034057
H -6.311001 -0.526246 0.845475
H -6.967318 -0.272065 -2.180809
H -6.453476 -1.776802 -1.367334
H -8.017472 -1.023154 -0.945442


