%chk=000215405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215405

0 1
O 4.422219 1.854615 1.129611
N -0.996609 1.456360 -0.625758
N 2.565539 0.830419 0.285821
N -5.077293 1.243613 0.764173
C 1.675603 2.001544 0.514245
C 0.465999 1.595095 1.377547
C 1.201779 2.594493 -0.827126
C -0.552935 0.738126 0.613614
C 0.166138 1.712456 -1.539102
C -2.058027 0.672613 -1.348918
C -3.310409 0.624709 -0.543424
C -4.162096 -0.529384 -0.368668
C -3.884902 1.679988 0.148677
C 3.915982 0.861931 0.631694
C -5.264458 -0.113678 0.454660
C -4.113157 -1.861602 -0.818473
C 4.670644 -0.399476 0.329298
C -6.296535 -0.999376 0.825447
C -5.128299 -2.728883 -0.451576
C -6.209375 -2.300246 0.362643
C 5.817063 -0.320046 -0.471936
C 4.263992 -1.627339 0.866125
C 6.547317 -1.478794 -0.751149
C 5.001354 -2.781738 0.587384
C 6.139177 -2.708337 -0.223473
H 2.277327 2.780402 1.065051
H -0.032287 2.520539 1.733935
H 0.801494 1.058287 2.284504
H 2.065309 2.771763 -1.495387
H 0.755401 3.590944 -0.627857
H -0.132270 -0.267774 0.403144
H -1.452535 0.577176 1.251024
H -0.216121 2.250990 -2.434556
H 0.644811 0.779590 -1.905902
H -1.731506 -0.357489 -1.616709
H -2.272918 1.197428 -2.311386
H 2.152758 0.021095 -0.162945
H -3.523661 2.689808 0.251500
H -5.684862 1.806636 1.324376
H -3.288017 -2.193047 -1.443743
H -7.120843 -0.667387 1.446698
H -5.110238 -3.763177 -0.788143
H -6.983151 -3.021609 0.622339
H 6.140181 0.645715 -0.864227
H 3.385971 -1.682494 1.508835
H 7.438317 -1.421428 -1.374777
H 4.691485 -3.738043 1.005728
H 6.711443 -3.609692 -0.439939


%chk=000215405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215405

0 1
O 4.460644 2.090751 -0.007511
N -0.948871 1.325388 -0.509365
N 2.582189 0.814401 0.470900
N -5.108470 1.243095 0.783476
C 1.700259 1.991897 0.639281
C 0.480663 1.618131 1.511791
C 1.214161 2.550888 -0.724692
C -0.508443 0.701757 0.760465
C 0.206101 1.604639 -1.402964
C -2.002319 0.527399 -1.191018
C -3.316511 0.534281 -0.446676
C -4.283163 -0.547665 -0.370114
C -3.856060 1.605983 0.264105
C 3.927157 0.947531 0.175330
C -5.399557 -0.074432 0.410634
C -4.318897 -1.873916 -0.880626
C 4.730556 -0.327488 0.074857
C -6.526523 -0.879352 0.687979
C -5.438904 -2.681975 -0.605386
C -6.531542 -2.190484 0.170031
C 5.980075 -0.257649 -0.592625
C 4.312642 -1.565606 0.630816
C 6.786978 -1.406577 -0.723879
C 5.122286 -2.715759 0.502506
C 6.358514 -2.641052 -0.180342
H 2.312120 2.766069 1.136531
H -0.047986 2.549993 1.784240
H 0.812798 1.131998 2.448942
H 2.086342 2.722368 -1.379806
H 0.725281 3.527258 -0.544278
H -0.040644 -0.306036 0.568369
H -1.398865 0.514414 1.385523
H -0.176285 2.070328 -2.330266
H 0.727135 0.656487 -1.702586
H -1.675826 -0.533647 -1.351322
H -2.135651 0.963410 -2.201803
H 2.158305 -0.113539 0.504643
H -3.424816 2.589294 0.438374
H -5.705146 1.840952 1.350445
H -3.490283 -2.264036 -1.482623
H -7.368874 -0.506274 1.281634
H -5.478413 -3.706384 -0.992404
H -7.389562 -2.843711 0.364453
H 6.295059 0.712860 -0.989910
H 3.377708 -1.640500 1.199809
H 7.748223 -1.341808 -1.245455
H 4.795440 -3.664369 0.942629
H 6.985777 -3.534013 -0.279212


