%chk=000207644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207644

1 1
O -6.008747 -0.004019 0.333247
O -1.382154 1.861171 -1.457166
N -3.151984 -0.513209 0.226054
N -0.133665 0.021282 -1.005699
N 0.989510 -0.613461 -0.566967
C -3.916266 0.184748 -0.898510
C -4.128009 -1.379370 1.033885
C -2.079905 -1.452762 -0.347713
C -2.515258 0.511739 1.137180
C -5.160560 0.913377 -0.374941
C -5.366477 -0.580524 1.475636
C -1.208978 -0.888882 -1.480659
C -0.268080 1.436934 -1.169748
C 0.960203 2.211421 -0.902085
C 2.057162 0.122517 -0.283384
C 2.073899 1.565946 -0.469076
C 3.261775 -0.572823 0.224889
C 0.894540 3.671592 -1.155632
C 3.894240 -0.098887 1.386585
C 3.771444 -1.690873 -0.451900
C 5.037345 -0.743936 1.861945
C 4.918907 -2.327629 0.030666
C 5.551764 -1.856084 1.184424
H -4.224813 -0.573818 -1.655224
H -3.234055 0.917806 -1.420695
H -3.610109 -1.817420 1.916546
H -4.466944 -2.234270 0.398303
H -1.416194 -1.795698 0.487702
H -2.586449 -2.372200 -0.734569
H -1.701058 0.077344 1.743798
H -2.083241 1.355132 0.553673
H -3.248961 0.960925 1.831577
H -4.918403 1.782807 0.261916
H -5.814561 1.246750 -1.211197
H -6.154397 -1.250831 1.884926
H -5.130325 0.201568 2.220302
H -0.737478 -1.762729 -2.009717
H -1.810850 -0.345955 -2.251713
H 3.009147 2.100189 -0.269818
H 1.316757 4.260535 -0.326499
H -0.137351 4.029843 -1.316249
H 1.462570 3.948091 -2.061563
H 3.496711 0.763086 1.919730
H 3.277981 -2.061265 -1.350479
H 5.532640 -0.379916 2.763141
H 5.321037 -3.193987 -0.496531
H 6.448239 -2.354054 1.557708


%chk=000207644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207644

1 1
O -6.063368 -0.184540 0.383617
O -1.371191 2.057141 -1.557346
N -3.128791 -0.520931 0.134032
N -0.090092 0.151009 -1.110845
N 1.002236 -0.538232 -0.612036
C -3.994547 0.218141 -0.921470
C -4.041014 -1.491121 0.932374
C -2.057060 -1.393070 -0.570057
C -2.468056 0.481273 1.082331
C -5.247170 0.836658 -0.287019
C -5.302106 -0.797211 1.473107
C -1.162120 -0.723000 -1.626526
C -0.237651 1.559124 -1.215904
C 0.969131 2.324453 -0.890038
C 2.073275 0.201477 -0.246572
C 2.076136 1.640126 -0.412038
C 3.240376 -0.538787 0.298030
C 0.916456 3.813960 -1.093897
C 4.215188 0.119207 1.097680
C 3.394341 -1.927902 0.032010
C 5.317405 -0.594094 1.614158
C 4.496414 -2.636865 0.547810
C 5.464025 -1.973047 1.340234
H -4.288070 -0.543310 -1.664790
H -3.350909 0.987160 -1.385905
H -3.431230 -1.928540 1.742140
H -4.340938 -2.284424 0.227255
H -1.432570 -1.835566 0.226344
H -2.615694 -2.204031 -1.069690
H -1.679373 -0.034124 1.651472
H -2.049535 1.301739 0.483438
H -3.219160 0.883692 1.775355
H -4.993629 1.656718 0.415699
H -5.880502 1.252733 -1.085811
H -5.961731 -1.560969 1.915007
H -5.069564 -0.048698 2.259104
H -0.662805 -1.553355 -2.155064
H -1.743527 -0.145208 -2.360479
H 2.989221 2.195989 -0.181582
H 1.869423 4.296064 -0.824486
H 0.103923 4.264107 -0.494534
H 0.679671 4.052730 -2.147059
H 4.112841 1.181675 1.344526
H 2.651488 -2.435033 -0.590778
H 6.058290 -0.075809 2.231424
H 4.609896 -3.703200 0.326264
H 6.323266 -2.523905 1.736613


