%chk=000219795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219795

0 1
S 4.050170 0.788360 0.717663
O 0.702918 -0.833121 -0.304920
O 1.584035 0.032837 1.608750
N 6.281158 1.242360 -0.994201
C -1.616679 -0.137873 -0.216090
C -3.026194 -0.628192 0.171305
C -1.350918 1.312351 0.235015
C -4.120209 0.058810 -0.656232
C -0.579678 -1.118014 0.351251
C -5.517461 -0.442899 -0.264939
C -1.304679 1.510056 1.746420
C -6.610198 0.238244 -1.085477
C 1.681096 -0.230361 0.433138
C 2.874986 0.020306 -0.434881
C 5.358586 1.043453 -0.329002
H -1.523480 -0.161403 -1.333410
H -3.201613 -0.446091 1.250459
H -3.097809 -1.724628 0.033319
H -2.134532 1.966896 -0.198858
H -0.394401 1.654013 -0.208852
H -3.947565 -0.117058 -1.735431
H -4.064706 1.156812 -0.517292
H -0.763620 -2.163411 0.046959
H -0.466361 -1.048758 1.447877
H -5.694113 -0.262998 0.813768
H -5.577201 -1.540356 -0.402228
H -2.197056 1.108802 2.239161
H -1.238509 2.573495 2.003020
H -0.425651 1.019481 2.192377
H -7.604021 -0.124979 -0.799934
H -6.605735 1.324882 -0.942163
H -6.488476 0.049069 -2.158113
H 2.626807 0.677816 -1.295084
H 3.264408 -0.920302 -0.879973


%chk=000219795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219795

0 1
S 4.337645 0.743716 0.899888
O 0.809012 -0.779429 -0.327843
O 1.629475 -0.010058 1.730108
N 6.532669 1.069017 -1.038115
C -1.606291 -0.149637 -0.330075
C -3.010211 -0.687004 0.071700
C -1.364184 1.336105 0.059671
C -4.187677 0.104997 -0.540930
C -0.541329 -1.094794 0.255454
C -5.558631 -0.554221 -0.264084
C -1.517997 1.667167 1.561883
C -6.738828 0.246706 -0.854808
C 1.771542 -0.246100 0.509788
C 3.040814 0.004459 -0.290848
C 5.618897 0.922515 -0.275391
H -1.528208 -0.218377 -1.436080
H -3.112020 -0.695808 1.176380
H -3.091170 -1.745682 -0.254356
H -2.062585 1.964889 -0.525008
H -0.349096 1.628300 -0.275840
H -4.040894 0.195484 -1.637767
H -4.198791 1.138331 -0.140267
H -0.726839 -2.139662 -0.045884
H -0.470649 -1.022986 1.354893
H -5.696008 -0.664190 0.831169
H -5.560019 -1.581621 -0.682195
H -2.536467 1.443407 1.928784
H -1.333434 2.742705 1.736118
H -0.794311 1.108296 2.181870
H -7.706434 -0.245442 -0.646374
H -6.780002 1.266369 -0.427266
H -6.640549 0.347514 -1.952268
H 2.854135 0.717895 -1.108427
H 3.431732 -0.935261 -0.710479


