%chk=000225639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225639

0 1
S 0.553244 -1.138031 0.929585
O -2.295533 -2.489140 0.494035
O -1.869870 1.656786 -1.527181
O 1.840631 3.856905 0.033548
N -2.471500 -0.336156 -0.438218
N 1.027023 1.783854 0.658270
C -0.366506 -1.459805 -0.619342
C -0.378512 -0.282350 -1.583704
C -1.796693 -1.571084 -0.095521
C -1.622197 0.515030 -1.231820
C 2.056376 -0.410966 0.445003
C -3.816270 -0.000189 -0.022022
C 3.182027 -1.253023 0.179520
C 2.166364 0.979709 0.405790
C 4.424249 -0.643414 -0.145590
C 3.431957 1.576280 0.086635
C 4.515348 0.786242 -0.179336
C 3.112884 -2.680598 0.222347
C -4.220850 1.345648 0.023116
C -4.712876 -1.024275 0.332135
C 5.560980 -1.459384 -0.429745
C 4.223324 -3.441931 -0.054975
C 5.463067 -2.828865 -0.388670
C -5.522357 1.656107 0.422899
C -6.007592 -0.691502 0.734058
C -6.418084 0.644468 0.780945
C 0.904137 3.185745 0.406325
C -0.484576 3.700048 0.623101
H -0.012141 -2.403769 -1.086006
H -0.430972 -0.615279 -2.643656
H 0.535225 0.347309 -1.549426
H 3.514671 2.671169 0.057245
H 5.479117 1.240352 -0.423147
H 2.175143 -3.168451 0.492654
H -3.539443 2.147841 -0.265834
H -4.406983 -2.073385 0.309104
H 6.504875 -0.974572 -0.678049
H 0.200729 1.300657 1.043880
H 4.170635 -4.530445 -0.019445
H 6.323306 -3.459820 -0.604108
H -5.838349 2.698831 0.453791
H -6.701803 -1.484749 1.012509
H -7.429597 0.894767 1.093620
H -1.182829 3.312509 -0.145455
H -0.501464 4.799437 0.530358
H -0.902013 3.452990 1.607477


%chk=000225639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225639

0 1
S 0.535879 -0.768189 1.250713
O -2.279546 -2.535074 0.615318
O -2.104504 1.633511 -1.589610
O 2.234141 4.171143 0.032547
N -2.567679 -0.397826 -0.420392
N 1.340933 2.093467 0.693524
C -0.361769 -1.311227 -0.393424
C -0.415189 -0.190450 -1.435197
C -1.820951 -1.547379 0.000764
C -1.755599 0.501648 -1.186514
C 2.152088 -0.206253 0.558134
C -3.957807 -0.171871 -0.093574
C 3.174660 -1.172314 0.247295
C 2.378266 1.183964 0.380423
C 4.441250 -0.697654 -0.277633
C 3.648361 1.635532 -0.123583
C 4.636300 0.711760 -0.443896
C 2.999241 -2.585518 0.425036
C -4.406889 1.136097 0.215462
C -4.863649 -1.261416 -0.086073
C 5.465129 -1.641915 -0.611023
C 4.017905 -3.482197 0.090797
C 5.261373 -3.012394 -0.436269
C -5.766474 1.347182 0.528902
C -6.218354 -1.035583 0.237420
C -6.676616 0.265921 0.544048
C 1.277451 3.480384 0.486762
C -0.085391 4.077201 0.826034
H 0.131762 -2.238202 -0.717747
H -0.426481 -0.608730 -2.460688
H 0.418902 0.525507 -1.388788
H 3.797936 2.708892 -0.251563
H 5.597250 1.067523 -0.833942
H 2.061115 -2.951652 0.856046
H -3.709748 1.976172 0.194992
H -4.512637 -2.269870 -0.314318
H 6.416936 -1.267408 -1.005887
H 0.504639 1.641150 1.088684
H 3.866380 -4.556789 0.240871
H 6.049430 -3.727958 -0.693358
H -6.111757 2.359726 0.763658
H -6.915207 -1.880430 0.246785
H -7.729988 0.435522 0.791560
H -0.800269 3.862131 0.008886
H 0.017794 5.167780 0.921427
H -0.502318 3.667585 1.764093


