%chk=000201698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201698

0 1
O -2.067861 2.070573 0.883801
N 1.391002 0.113023 -0.257612
C -1.085836 0.097490 0.030014
C -2.352883 0.980063 -0.024953
C 0.132025 0.899096 -0.482559
C -1.311140 -1.179803 -0.796731
C -3.604305 0.225900 0.451147
C -2.553143 -1.943374 -0.322983
C -3.805412 -1.056057 -0.365304
C 1.782198 0.140578 1.191652
C 2.498906 0.651510 -1.116778
C 3.033544 -0.724619 1.412578
C 3.763902 -0.204268 -0.932611
C 4.197391 -0.241076 0.538205
H -0.905540 -0.183122 1.098516
H -2.506891 1.419681 -1.033514
H 0.142448 1.895346 0.016775
H 0.019489 1.090904 -1.570299
H -0.408026 -1.819845 -0.716396
H -1.401700 -0.930568 -1.869993
H -4.496759 0.871759 0.375693
H -3.495827 -0.019823 1.526362
H -2.392911 -2.317511 0.706647
H -2.705059 -2.840125 -0.952103
H -4.048243 -0.800163 -1.414702
H -4.677751 -1.614377 0.023042
H 0.931110 -0.273326 1.777661
H 1.960746 1.170743 1.568215
H 2.729641 1.717169 -0.903378
H 2.165766 0.593832 -2.175414
H 2.797663 -1.779433 1.167393
H 3.315941 -0.705364 2.480181
H 4.576642 0.191744 -1.566981
H 3.561473 -1.235485 -1.285370
H 4.526424 0.763573 0.863896
H 5.070599 -0.907127 0.662101
H -2.851222 2.631585 1.009500


%chk=000201698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201698

0 1
O -2.161902 2.172820 0.844549
N 1.406305 0.153253 -0.202036
C -1.111682 0.122290 0.068867
C -2.381981 0.991878 -0.021586
C 0.138244 0.910168 -0.392048
C -1.303158 -1.178227 -0.753733
C -3.642121 0.215859 0.416994
C -2.557466 -1.966758 -0.315804
C -3.825101 -1.084206 -0.403863
C 1.846607 0.140402 1.217399
C 2.489639 0.658028 -1.085180
C 3.089501 -0.752955 1.408499
C 3.754710 -0.217429 -0.974604
C 4.243587 -0.290007 0.490137
H -0.997158 -0.150501 1.138820
H -2.516286 1.327095 -1.077813
H 0.161171 1.894269 0.132545
H 0.034031 1.119561 -1.476590
H -0.386812 -1.788249 -0.658941
H -1.396293 -0.913397 -1.829352
H -4.537306 0.864579 0.313888
H -3.538389 -0.030948 1.492857
H -2.427341 -2.316939 0.729058
H -2.678124 -2.870159 -0.944569
H -4.016678 -0.827596 -1.466545
H -4.713925 -1.635851 -0.042152
H 1.017375 -0.230753 1.845952
H 2.082864 1.181421 1.567937
H 2.758536 1.719278 -0.830954
H 2.116722 0.655094 -2.126836
H 2.818316 -1.798166 1.162659
H 3.400998 -0.727134 2.470860
H 4.545752 0.192965 -1.632002
H 3.512621 -1.236650 -1.333775
H 4.588822 0.714519 0.812525
H 5.109992 -0.973000 0.578103
H -2.997671 2.704552 0.872429


