%chk=000206049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206049

0 1
O 5.034428 0.850345 0.566171
O 3.535811 2.068356 -0.556153
N -0.084005 -0.732093 -0.052221
C 0.977417 -0.108750 -0.743335
C 0.446705 -1.712988 0.821185
C 2.162374 -0.709865 -0.304505
C -1.483618 -0.405777 -0.183830
C 1.828045 -1.704658 0.670272
C -2.018701 0.750418 0.420634
C 3.535463 -0.392857 -0.769928
C 0.783274 0.968935 -1.732045
C -3.398142 1.015759 0.249350
C -2.288209 -1.283647 -0.930451
C -0.411250 -2.536106 1.697833
C -1.168911 1.681343 1.219800
C -4.195795 0.136491 -0.494928
C -3.645260 -1.007193 -1.080085
C -4.018155 2.231380 0.859904
C 3.959820 0.967309 -0.289614
H 2.529481 -2.325597 1.187096
H 3.583947 -0.410876 -1.883404
H 4.254763 -1.168573 -0.416174
H -0.197747 1.457027 -1.652737
H 1.549626 1.758596 -1.597322
H 0.880923 0.591871 -2.760498
H -1.847104 -2.167846 -1.389583
H 0.190930 -3.210773 2.323581
H -1.016891 -1.914787 2.375403
H -1.107773 -3.160924 1.118620
H -1.590152 1.853758 2.220172
H -0.142509 1.312598 1.371025
H -1.077969 2.659998 0.725750
H -5.257408 0.344606 -0.621370
H -4.277569 -1.681141 -1.656512
H -3.943053 2.208980 1.957082
H -3.518606 3.150091 0.518774
H -5.082672 2.334490 0.612622
H 5.345092 1.724400 0.919319


%chk=000206049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206049

0 1
O 4.874457 0.713899 0.810440
O 3.945147 2.026402 -0.863461
N -0.047166 -0.674308 -0.074056
C 1.002155 -0.162088 -0.866549
C 0.474678 -1.522941 0.926124
C 2.197553 -0.702366 -0.363237
C -1.447676 -0.364270 -0.254201
C 1.862933 -1.545777 0.757597
C -2.049873 0.692568 0.484115
C 3.593286 -0.430264 -0.895717
C 0.757507 0.791159 -2.002259
C -3.438986 0.962284 0.277250
C -2.191330 -1.134683 -1.178470
C -0.405550 -2.222458 1.922653
C -1.244723 1.522214 1.466737
C -4.172616 0.183179 -0.650184
C -3.558778 -0.860332 -1.378590
C -4.127331 2.078021 1.043268
C 4.130989 0.891707 -0.367716
H 2.564715 -2.108437 1.372364
H 3.590907 -0.365346 -1.997676
H 4.276104 -1.240413 -0.592493
H 0.180415 1.677967 -1.677721
H 1.719549 1.158411 -2.394586
H 0.193403 0.323558 -2.832532
H -1.687181 -1.938650 -1.724865
H 0.215142 -2.848885 2.584543
H -0.967164 -1.512124 2.560392
H -1.152009 -2.878621 1.435164
H -1.656627 1.441475 2.491387
H -0.190852 1.205237 1.495523
H -1.273003 2.595823 1.199088
H -5.236871 0.398860 -0.802561
H -4.141626 -1.452755 -2.091977
H -4.071352 1.916332 2.136920
H -3.656658 3.060154 0.845045
H -5.192595 2.152369 0.767058
H 5.157627 1.605399 1.153079


