%chk=000229635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229635

0 1
O 0.566215 -2.718794 1.424353
O -1.993543 0.943826 -2.107832
O -4.642265 0.808675 1.566665
N 1.037116 1.774120 0.799774
N 1.006244 3.013695 0.123039
N -3.366458 0.825546 -0.304529
C 1.626274 -0.503739 1.132044
C 3.449866 -1.454819 -0.396880
C 2.989239 -1.209863 1.051742
C 2.211063 0.660186 -1.144384
C 3.543185 -0.109698 -1.136443
C 0.456915 -1.448280 0.747959
C 1.601900 0.740192 0.248788
C -0.904879 -0.915797 1.211942
C -2.075443 -1.591805 0.478750
C 4.798893 -2.180949 -0.416272
C 1.200233 0.073910 -2.133146
C -2.114707 -1.205654 -1.010128
C -3.420097 -1.227214 1.131052
C -2.444127 0.248327 -1.219174
C -3.872313 0.185515 0.869578
C 0.824093 4.078612 1.166559
C -0.111222 3.077966 -0.876386
H 1.475492 -0.191932 2.202653
H 2.696442 -2.097314 -0.915045
H 3.742887 -0.596552 1.585388
H 2.941974 -2.170840 1.606818
H 2.447051 1.710607 -1.477571
H 3.882150 -0.272415 -2.176785
H 4.321169 0.522798 -0.664446
H 0.477566 -1.664988 -0.349812
H -0.993804 -1.104948 2.304602
H -0.947215 0.186948 1.103916
H -1.934066 -2.702496 0.555607
H 4.743164 -3.150141 0.090291
H 5.134076 -2.369791 -1.442541
H 5.584762 -1.598556 0.078113
H 0.296963 0.710814 -2.198381
H 1.620368 0.011910 -3.142742
H 0.879728 -0.936134 -1.843961
H -2.856963 -1.827478 -1.555132
H -1.138354 -1.432107 -1.496396
H -3.374209 -1.388281 2.232324
H -4.217662 -1.920073 0.782425
H 1.499142 -3.027267 1.449251
H -3.651258 1.802741 -0.466054
H 0.878743 5.058327 0.669453
H 1.653854 4.017229 1.890422
H -0.117336 4.012055 1.731508
H -0.073606 2.213809 -1.570900
H 0.026018 3.989008 -1.479247
H -1.118559 3.096805 -0.436226


%chk=000229635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229635

0 1
O 0.514180 -2.821244 1.222392
O -2.511787 1.085343 -1.948053
O -4.683056 0.663440 2.118672
N 1.088368 1.799595 0.752589
N 1.036435 3.071207 0.119116
N -3.615713 0.783944 0.067151
C 1.587549 -0.519773 1.060717
C 3.547469 -1.473723 -0.339712
C 2.963859 -1.233989 1.073394
C 2.346521 0.683318 -1.174440
C 3.686930 -0.104875 -1.047773
C 0.399334 -1.462209 0.645260
C 1.623135 0.734603 0.177741
C -0.940574 -0.927456 1.175626
C -2.179760 -1.612587 0.544290
C 4.902502 -2.210040 -0.273884
C 1.492186 0.113847 -2.348379
C -2.420410 -1.154954 -0.918049
C -3.467982 -1.342590 1.360199
C -2.828362 0.309875 -1.003648
C -3.976115 0.090428 1.249624
C 0.512876 4.057352 1.094011
C 0.373560 3.195087 -1.210044
H 1.368174 -0.172058 2.088504
H 2.843342 -2.105631 -0.925252
H 3.678753 -0.594622 1.630388
H 2.895312 -2.178942 1.647891
H 2.615729 1.728174 -1.423954
H 4.114629 -0.238730 -2.061852
H 4.411888 0.504180 -0.469453
H 0.375392 -1.552682 -0.460745
H -0.941105 -1.111309 2.267843
H -0.969049 0.169773 1.036568
H -1.991652 -2.702309 0.548174
H 4.805346 -3.192994 0.224776
H 5.318368 -2.380993 -1.284383
H 5.641164 -1.616279 0.298466
H 0.475930 0.544168 -2.376980
H 1.986677 0.334028 -3.313247
H 1.392037 -0.984596 -2.277729
H -3.229024 -1.759988 -1.376920
H -1.528535 -1.282746 -1.552622
H -3.325923 -1.555668 2.433243
H -4.286588 -2.005052 1.010603
H 1.307496 -3.271141 0.836931
H -3.931519 1.760321 0.005020
H 0.723666 5.076064 0.724131
H 1.025958 3.911891 2.055694
H -0.583135 3.953510 1.260764
H 0.963350 2.731071 -2.012229
H 0.280270 4.269464 -1.442429
H -0.643396 2.744196 -1.213399


