%chk=000191624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191624

0 1
O -0.796071 -2.700413 -1.422212
O -0.945204 2.420167 1.174268
N 0.539495 -2.016077 0.300635
N -1.039890 0.379792 0.220964
N -2.653809 1.614273 3.271093
N -2.901465 2.253868 4.164579
C -1.681522 -0.928624 -0.014574
C -2.810874 -0.850823 -1.061637
C 2.862481 -2.079165 -0.640027
C 1.674474 -2.885507 -0.098696
C 3.640498 -1.349333 0.464144
C -0.604301 -1.944125 -0.484079
C -4.075343 -0.314285 -0.454243
C 4.813041 -0.605243 -0.118465
C -4.949874 -1.178920 0.222876
C -4.383615 1.051240 -0.546794
C 6.036307 -1.263126 -0.319498
C 4.687848 0.747192 -0.470299
C -1.442875 1.302723 1.209827
C -6.120002 -0.679682 0.800181
C -5.555238 1.544983 0.033582
C -6.424355 0.682449 0.708919
C 7.121947 -0.572455 -0.864245
C 5.777071 1.433149 -1.014430
C 6.995548 0.776152 -1.212511
C -2.368447 0.853931 2.249553
H -2.104678 -1.320722 0.954601
H -2.493888 -0.244148 -1.934544
H -2.979317 -1.866272 -1.496016
H 3.545107 -2.763979 -1.184483
H 2.517171 -1.351392 -1.402396
H 1.972402 -3.490722 0.786584
H 1.320300 -3.606387 -0.878122
H 3.987994 -2.073488 1.229191
H 2.973674 -0.649661 1.006885
H 0.745223 -1.297169 0.991109
H -0.555902 0.787106 -0.586402
H -4.724600 -2.241896 0.287289
H -3.711414 1.729857 -1.069591
H 6.141377 -2.312076 -0.051569
H 3.743045 1.265884 -0.319619
H -6.799688 -1.354895 1.318098
H -5.791521 2.605802 -0.043019
H -7.337725 1.068795 1.156694
H 8.069385 -1.086583 -1.017537
H 5.675288 2.483313 -1.284270
H 7.842118 1.312244 -1.635581
H -2.878177 -0.109353 2.126087


%chk=000191624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191624

0 1
O -0.859012 -2.956532 -1.194995
O -0.738985 1.870594 2.189157
N 0.574941 -1.905934 0.319180
N -1.158105 0.197264 0.635596
N -2.821709 0.907169 3.797534
N -2.962257 1.387641 4.863922
C -1.740506 -1.040326 0.094566
C -2.742597 -0.804811 -1.076432
C 2.933720 -2.104797 -0.556662
C 1.720042 -2.806177 0.093223
C 3.579415 -1.010026 0.339467
C -0.627972 -2.050685 -0.337870
C -4.049229 -0.201983 -0.591428
C 4.818543 -0.399775 -0.300859
C -5.063750 -1.038552 -0.052218
C -4.269059 1.198948 -0.613057
C 6.076187 -1.050488 -0.201545
C 4.739995 0.806742 -1.042205
C -1.453958 0.883426 1.823353
C -6.261955 -0.489049 0.457333
C -5.466636 1.753010 -0.105803
C -6.465818 0.911273 0.434918
C 7.223228 -0.512893 -0.826823
C 5.884438 1.348739 -1.670823
C 7.130842 0.689577 -1.565977
C -2.613796 0.391254 2.595877
H -2.281151 -1.546512 0.917370
H -2.258305 -0.151340 -1.826468
H -2.901956 -1.786511 -1.557127
H 3.695236 -2.877168 -0.781977
H 2.630987 -1.665594 -1.526087
H 2.020852 -3.255887 1.061003
H 1.351928 -3.615849 -0.560424
H 3.842044 -1.464879 1.316039
H 2.837394 -0.212726 0.543230
H 0.647463 -1.153440 1.009004
H -0.497729 0.705048 0.037966
H -4.919245 -2.126766 -0.050241
H -3.497719 1.858847 -1.028203
H 6.158008 -1.979961 0.376680
H 3.778082 1.329080 -1.120720
H -7.038055 -1.149547 0.860490
H -5.618672 2.837776 -0.130564
H -7.394865 1.339561 0.827142
H 8.187222 -1.026190 -0.734435
H 5.805468 2.284833 -2.235306
H 8.019935 1.110039 -2.049047
H -3.400930 -0.250023 2.196545


