%chk=000224871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224871

0 1
O 3.579159 2.053104 0.437547
O -3.580305 2.055341 -0.436195
N 6.941049 -1.078217 -0.278505
N -6.943728 -1.074970 0.279053
N 3.458824 0.221026 -0.921796
N -3.460863 0.222564 0.922295
C 5.478675 -0.915272 -0.004942
C -5.481280 -0.912710 0.005470
C 7.741675 0.015265 0.366608
C 7.429767 -2.442942 0.073382
C -7.743837 0.018998 -0.365876
C -7.433128 -2.439404 -0.073022
C 4.929073 0.089194 -1.043852
C -4.931166 0.091435 1.044418
C 9.113123 0.123465 -0.300876
C 7.306347 -2.850340 1.544241
C -9.115201 0.127784 0.301684
C -7.309973 -2.846638 -1.543949
C 2.892259 1.229093 -0.141380
C -2.893824 1.230694 0.142312
C 1.389968 1.209819 -0.084501
C -1.391539 1.210590 0.085372
C 0.769856 1.225663 1.171588
C -0.624853 1.222250 1.257023
C 0.623277 1.221379 -1.256159
C -0.771423 1.225553 -1.170732
H 5.255900 -0.559530 1.023743
H 4.963074 -1.892024 -0.116445
H -5.258355 -0.557036 -1.023203
H -4.966157 -1.889721 0.116924
H 7.193152 0.975984 0.232726
H 7.859597 -0.128881 1.462563
H 6.878778 -3.166888 -0.567687
H 8.495878 -2.502081 -0.243874
H -7.194835 0.979429 -0.231889
H -7.861882 -0.124939 -1.461846
H -6.882463 -3.163719 0.567909
H -8.499252 -2.498069 0.244275
H 5.403071 1.090290 -0.897592
H 5.183440 -0.240686 -2.075046
H -5.404692 1.092768 0.898240
H -5.185654 -0.238383 2.075603
H 2.895281 -0.515353 -1.329235
H -2.897654 -0.514192 1.329515
H 9.757141 -0.728464 -0.057659
H 9.016953 0.154956 -1.394573
H 9.630220 1.035430 0.015626
H 7.850574 -2.161618 2.201209
H 6.264787 -2.867033 1.880593
H 7.719573 -3.851254 1.709657
H -9.759664 -0.723774 0.058346
H -9.018968 0.159036 1.395382
H -9.631844 1.040068 -0.014637
H -7.853922 -2.157570 -2.200785
H -6.268439 -2.863755 -1.880359
H -7.723665 -3.847338 -1.709491
H 1.378214 1.257306 2.078023
H -1.109891 1.249061 2.233421
H 1.108330 1.247540 -2.232567
H -1.379761 1.257111 -2.077179


%chk=000224871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224871

0 1
O 3.478396 1.290606 1.333815
O -3.479905 1.292855 -1.332945
N 7.154226 -0.760965 -0.320386
N -7.156768 -0.757490 0.320933
N 3.671222 0.663072 -0.895496
N -3.673172 0.665007 0.896238
C 5.683329 -0.795197 -0.479191
C -5.685897 -0.792353 0.479814
C 7.578168 -0.329232 1.037303
C 7.862965 -1.945244 -0.864892
C -7.580468 -0.325534 -1.036759
C -7.866046 -1.941474 0.865383
C 5.141902 0.611862 -0.853841
C -5.143873 0.614469 0.854482
C 9.042174 0.144828 1.095236
C 7.642631 -3.287248 -0.112068
C -9.044258 0.149185 -1.094737
C -7.646274 -3.283556 0.112535
C 2.926469 1.002538 0.222247
C -2.928184 1.004326 -0.221393
C 1.424100 1.009245 0.063444
C -1.425812 1.010111 -0.062560
C 0.648915 1.027475 1.250038
C -0.757414 1.026841 1.190649
C 0.755715 1.026877 -1.189758
C -0.650613 1.028360 -1.249145
H 5.156013 -1.139093 0.440792
H 5.425723 -1.508942 -1.285748
H -5.158681 -1.136487 -0.440139
H -5.428641 -1.506204 1.286390
H 6.921397 0.508187 1.336836
H 7.415731 -1.132724 1.798464
H 7.545371 -2.064208 -1.918955
H 8.944617 -1.717301 -0.894836
H -6.923314 0.511601 -1.336246
H -7.418361 -1.129078 -1.797936
H -7.548544 -2.060603 1.919455
H -8.947598 -1.713060 0.895291
H 5.473141 1.344159 -0.099118
H 5.551856 0.913888 -1.833660
H -5.474718 1.346908 0.099724
H -5.553764 0.916696 1.834266
H 3.195887 0.340841 -1.738621
H -3.198050 0.342363 1.739323
H 9.754900 -0.677342 0.901601
H 9.216961 0.936789 0.345616
H 9.269730 0.551886 2.097578
H 8.014699 -3.237971 0.927325
H 6.570649 -3.556616 -0.078297
H 8.182685 -4.105545 -0.624200
H -9.757359 -0.672664 -0.901121
H -9.218714 0.941226 -0.345125
H -9.271601 0.556344 -2.097087
H -8.018279 -3.234096 -0.926872
H -6.574411 -3.553405 0.078801
H -8.186712 -4.101625 0.624626
H 1.181145 1.056702 2.206196
H -1.319956 1.075508 2.130777
H 1.318299 1.075613 -2.129857
H -1.182831 1.058283 -2.205289


