%chk=000229611.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229611

0 1
S 0.888263 0.186647 0.437052
O 1.133786 0.151442 -0.992856
O 0.905750 1.448286 1.145338
N 2.063115 -0.813900 1.217293
C -3.115980 -0.653689 0.482792
C -4.309358 0.101241 -0.118187
C -1.795909 0.075476 0.192441
C -5.631643 -0.622665 0.169059
C -0.602235 -0.672961 0.789314
C -6.824507 0.132525 -0.432140
C -8.148930 -0.589477 -0.146536
C 3.011926 -1.560823 0.350136
C -9.339290 0.158449 -0.742757
C 4.247587 -0.761464 0.002116
C 4.221658 0.134368 -1.076276
C 5.419555 -0.912591 0.755972
C 5.363849 0.870769 -1.399162
C 6.560568 -0.173907 0.428632
C 6.534619 0.717288 -0.648687
H -3.254031 -0.765884 1.575651
H -3.078072 -1.682385 0.075155
H -4.348835 1.130895 0.288154
H -4.173122 0.215076 -1.211459
H -1.844614 1.107111 0.603789
H -1.667326 0.185645 -0.906244
H -5.770361 -0.735058 1.261720
H -5.594562 -1.651513 -0.238145
H -0.746925 -0.803155 1.882873
H -0.574093 -1.712069 0.399312
H -6.864102 1.161832 -0.026443
H -6.688337 0.246755 -1.524838
H -8.288318 -0.702070 0.946495
H -8.112385 -1.618597 -0.554418
H 2.558015 -0.383128 2.013987
H 3.289041 -2.497367 0.891115
H 2.494381 -1.889936 -0.583553
H -9.427727 1.170432 -0.331311
H -9.252010 0.254660 -1.831019
H -10.279893 -0.363466 -0.534232
H 3.299675 0.262005 -1.657572
H 5.446364 -1.604254 1.595352
H 5.339566 1.567476 -2.235950
H 7.470084 -0.292884 1.014406
H 7.423265 1.292065 -0.902068


%chk=000229611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229611

0 1
S 0.935103 0.091178 0.091398
O 1.171139 -0.187923 -1.504752
O 0.935143 1.608814 0.688610
N 2.181856 -0.959373 1.069868
C -3.238593 -0.684076 0.413224
C -4.461799 0.003788 -0.235404
C -1.899700 -0.052664 -0.048602
C -5.807792 -0.584321 0.244586
C -0.714968 -0.765892 0.600435
C -7.034736 0.093494 -0.406084
C -8.382114 -0.480390 0.089032
C 3.231147 -1.581163 0.190756
C -9.603347 0.199700 -0.566648
C 4.494949 -0.751416 0.013969
C 4.524237 0.335004 -0.900601
C 5.654531 -1.041842 0.777150
C 5.691721 1.116680 -1.040279
C 6.823789 -0.259283 0.637096
C 6.843870 0.823045 -0.272082
H -3.321029 -0.612389 1.517360
H -3.250150 -1.764904 0.163492
H -4.434128 1.089632 -0.009180
H -4.392249 -0.087390 -1.338975
H -1.883868 1.019862 0.225410
H -1.816415 -0.115101 -1.150333
H -5.878296 -0.485356 1.348226
H -5.833097 -1.672781 0.027303
H -0.698664 -0.701596 1.700483
H -0.566862 -1.804659 0.265272
H -7.004888 1.183980 -0.200229
H -6.974348 -0.015910 -1.509201
H -8.442116 -0.368367 1.191040
H -8.410440 -1.570497 -0.114359
H 2.593567 -0.270558 1.733320
H 3.462936 -2.557783 0.655310
H 2.752328 -1.777218 -0.788148
H -9.612454 1.285795 -0.355517
H -9.584957 0.072886 -1.665675
H -10.553393 -0.225047 -0.193488
H 3.631042 0.558047 -1.497483
H 5.644168 -1.885878 1.478869
H 5.704237 1.952666 -1.748443
H 7.714363 -0.494673 1.230725
H 7.748779 1.431080 -0.383151


