%chk=000217732.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217732

0 1
O -3.567854 0.398127 0.509984
O 6.041484 0.047752 -0.357122
N 2.650065 1.075422 -0.482146
N 4.015640 1.034732 -0.601044
C 2.678412 -1.344217 0.100109
C 2.005180 -0.011551 -0.139782
C 4.141020 -1.177002 0.518954
C 0.537220 0.062623 0.003261
C 4.842437 -0.033674 -0.178390
C -0.279613 -0.938728 -0.539224
C -0.050311 1.151658 0.683240
C -2.230387 0.202534 0.286980
C -1.668976 -0.881658 -0.401845
C -1.426983 1.227685 0.834383
C -4.514451 -0.583675 -0.023030
C -5.864191 -0.016298 0.414367
C -7.007051 -0.909130 -0.051352
H 2.132423 -1.924790 0.872178
H 2.614143 -1.945557 -0.833340
H 4.708189 -2.115163 0.337169
H 4.216125 -1.002396 1.616108
H 0.164298 -1.772331 -1.083902
H 0.588070 1.940644 1.088131
H -2.285006 -1.664317 -0.830026
H -1.901331 2.056224 1.356317
H -4.294828 -1.564700 0.428796
H -4.400941 -0.623047 -1.118822
H 4.424093 1.884621 -1.007125
H -5.879407 0.097557 1.518102
H -5.981597 1.012335 0.014530
H -6.933656 -1.920409 0.366033
H -7.975520 -0.499551 0.263479
H -7.036096 -1.001319 -1.143669


%chk=000217732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217732

0 1
O -3.640174 0.597541 0.371004
O 6.197165 -0.035712 -0.039640
N 2.741133 1.131006 0.079394
N 4.138827 1.039715 -0.049808
C 2.731194 -1.312439 -0.389550
C 2.042318 0.008549 -0.062930
C 4.139614 -1.385022 0.245339
C 0.570475 0.113915 0.051228
C 4.936139 -0.106377 0.019403
C -0.285252 -0.984557 -0.226536
C -0.039323 1.351204 0.430524
C -2.267909 0.364306 0.243433
C -1.690025 -0.871508 -0.136231
C -1.429195 1.477203 0.526317
C -4.565480 -0.519875 0.096036
C -5.986082 0.009419 0.304357
C -7.043623 -1.088122 0.054631
H 2.132707 -2.173321 -0.049918
H 2.812583 -1.396118 -1.493745
H 4.722989 -2.230760 -0.152856
H 4.057498 -1.532996 1.340745
H 0.132507 -1.949705 -0.531550
H 0.610545 2.204235 0.644403
H -2.313144 -1.741474 -0.361972
H -1.896594 2.422610 0.817493
H -4.348477 -1.359378 0.789312
H -4.421827 -0.872554 -0.946818
H 4.606210 1.947937 -0.082248
H -6.073559 0.398819 1.335646
H -6.151765 0.864504 -0.376865
H -6.909652 -1.942069 0.744809
H -8.062212 -0.690759 0.207689
H -6.987011 -1.475815 -0.979792


