%chk=000216272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216272

0 1
O 4.594830 -2.207523 -0.210409
O -3.405245 1.628104 -0.033443
O -4.199686 -1.143001 -0.614454
N 3.036554 1.346347 -0.704530
C 1.243851 0.161605 0.554765
C 2.018574 0.239949 -0.816087
C 1.511785 1.549538 1.199888
C 2.889920 1.959449 0.655078
C 2.753503 -1.050471 -1.201207
C -0.219178 -0.142320 0.274599
C 1.784673 -0.877969 1.515418
C 3.514618 -1.682190 -0.057241
C 2.887567 2.350166 -1.796320
C 2.812910 -1.685568 1.253214
C -1.177551 0.876399 0.207560
C -0.608631 -1.471716 0.032291
C -2.513589 0.566298 -0.071961
C -1.940461 -1.791824 -0.233314
C -2.902251 -0.775693 -0.276117
C -4.178334 1.813416 -1.252006
C -5.162006 -0.930991 0.456583
H 1.273253 0.457584 -1.624965
H 1.492996 1.513781 2.300415
H 0.738108 2.285152 0.907888
H 3.029374 3.055048 0.649255
H 3.706750 1.532388 1.280048
H 3.466288 -0.834039 -2.029568
H 2.036937 -1.792981 -1.605581
H 1.266930 -0.908026 2.478138
H 3.022824 1.846209 -2.767423
H 3.701029 3.089661 -1.708253
H 1.928467 2.887429 -1.810269
H 3.209951 -2.393348 1.982514
H -0.905306 1.921835 0.372034
H 0.134145 -2.270168 0.059506
H -2.248606 -2.822567 -0.409193
H -3.515912 2.185605 -2.038116
H -4.906513 2.573558 -0.949668
H -4.668228 0.880403 -1.554504
H -6.109870 -1.181609 -0.031503
H -5.141908 0.111558 0.792658
H -4.944661 -1.618279 1.278581


%chk=000216272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216272

0 1
O 4.431231 -2.179370 -1.185887
O -3.401666 1.561330 -0.365407
O -4.349749 -1.215626 -0.265202
N 2.965710 1.468823 -0.326461
C 1.252097 0.070190 0.618032
C 1.934492 0.484600 -0.744491
C 1.477761 1.350161 1.529934
C 2.273245 2.342919 0.650070
C 2.507764 -0.704522 -1.533023
C -0.236301 -0.270246 0.403822
C 1.991748 -1.085609 1.277274
C 3.418670 -1.597760 -0.694046
C 3.634139 2.198111 -1.415614
C 3.001546 -1.806245 0.711213
C -1.171264 0.760306 0.125122
C -0.702164 -1.609255 0.408469
C -2.529624 0.475199 -0.112968
C -2.067357 -1.903381 0.195121
C -2.995524 -0.871129 -0.046021
C -4.051855 1.534692 -1.697382
C -5.297292 -0.659862 0.730366
H 1.155077 0.981497 -1.380456
H 2.072341 1.072925 2.417363
H 0.524205 1.773283 1.885504
H 1.575778 3.057296 0.137750
H 3.004490 2.938833 1.224549
H 3.056567 -0.379462 -2.433530
H 1.659949 -1.328784 -1.883769
H 1.691797 -1.299166 2.314257
H 4.206659 1.503021 -2.052413
H 4.351840 2.918168 -0.984609
H 2.919965 2.766689 -2.065022
H 3.552271 -2.566847 1.277611
H -0.863882 1.810723 0.073390
H 0.000488 -2.428813 0.593089
H -2.437155 -2.933479 0.221827
H -3.288616 1.631687 -2.492680
H -4.722417 2.407231 -1.712816
H -4.624497 0.600846 -1.840771
H -6.294803 -0.983290 0.396408
H -5.236415 0.442881 0.763712
H -5.081352 -1.077368 1.731987


