%chk=000212796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212796

0 1
O -7.531262 0.237297 -1.399479
O -7.835337 -0.932296 0.680202
O 8.226865 1.756187 0.865206
N -1.578725 0.833826 0.261455
N 1.049306 -0.325721 0.397023
N 5.731879 0.322057 -0.244171
N 2.382035 -1.991494 -0.606580
N 3.837496 1.317284 0.566916
N 4.795867 -1.831377 -1.007853
C -1.273341 -0.431329 -0.452806
C -0.375877 1.697710 0.343280
C -0.139394 -1.195095 0.254536
C 0.769641 0.964070 1.068243
C -2.754626 1.536434 -0.300370
C 2.293702 -0.734831 -0.031045
C -4.075123 0.824046 -0.010040
C 3.514514 0.032751 0.065381
C 4.690308 -0.594287 -0.442467
C -5.137665 0.905496 -0.956960
C -4.263266 0.133337 1.212943
C -6.345684 0.291291 -0.621094
C 7.128110 0.082110 -0.638832
C 5.160943 1.449047 0.363371
C -6.524207 -0.393874 0.597983
C -5.496561 -0.493715 1.538971
C 3.582069 -2.457916 -1.048032
C 8.129414 0.331516 0.501232
C -8.510486 -0.529215 -0.582189
H -0.976908 -0.236028 -1.514765
H -2.181839 -1.059277 -0.464844
H -0.631820 2.611362 0.911768
H -0.018921 2.012048 -0.670649
H -0.481804 -1.502388 1.263362
H 0.158082 -2.089117 -0.314130
H 1.680820 1.580744 1.085831
H 0.454452 0.758082 2.111898
H -2.659590 1.692547 -1.405682
H -2.778542 2.547144 0.155658
H -5.012771 1.425266 -1.911889
H -3.419206 0.084736 1.908240
H 7.172451 -0.974070 -0.963922
H 7.386068 0.713621 -1.512664
H 5.764260 2.303623 0.656878
H -5.638134 -1.029307 2.481223
H 3.569637 -3.459847 -1.488125
H 7.797349 -0.173927 1.421734
H 9.120852 -0.072008 0.208653
H -8.807935 -1.436296 -1.136292
H -9.366047 0.125454 -0.339985
H 8.699148 2.243930 0.143680


%chk=000212796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212796

0 1
O -7.396709 0.094602 -1.557113
O -7.811631 -0.956972 0.559329
O 8.176793 1.800061 0.802108
N -1.553385 0.810445 0.332622
N 1.052105 -0.391308 0.487979
N 5.682059 0.338898 -0.271437
N 2.367095 -2.025363 -0.596494
N 3.789831 1.279702 0.610895
N 4.766646 -1.816135 -1.058396
C -1.267972 -0.467565 -0.368547
C -0.335568 1.654196 0.413693
C -0.149712 -1.243166 0.352155
C 0.793660 0.905756 1.149912
C -2.710595 1.534030 -0.244305
C 2.277701 -0.782187 0.007402
C -4.041197 0.826561 0.004103
C 3.482603 0.001506 0.087407
C 4.654398 -0.592684 -0.464268
C -5.046130 0.841071 -1.006547
C -4.294957 0.202156 1.251310
C -6.268395 0.236650 -0.705616
C 7.071605 0.136090 -0.708258
C 5.104449 1.441129 0.376780
C -6.512652 -0.381000 0.538513
C -5.539186 -0.420861 1.539892
C 3.562865 -2.463025 -1.079135
C 8.098584 0.381763 0.409491
C -8.459704 -0.481382 -0.690961
H -0.963686 -0.288785 -1.431193
H -2.187376 -1.079357 -0.377861
H -0.578725 2.576932 0.973293
H 0.031337 1.954291 -0.600998
H -0.500301 -1.529352 1.364025
H 0.133580 -2.148625 -0.205032
H 1.716617 1.505989 1.168817
H 0.468447 0.710101 2.191949
H -2.589178 1.710575 -1.343918
H -2.734276 2.535256 0.232184
H -4.867635 1.304220 -1.981822
H -3.492774 0.198570 1.996132
H 7.128168 -0.911885 -1.057209
H 7.293110 0.791034 -1.574834
H 5.698614 2.300664 0.674369
H -5.729332 -0.908825 2.499343
H 3.555245 -3.455973 -1.539343
H 7.802640 -0.150406 1.327254
H 9.089661 0.005728 0.081196
H -8.917180 -1.339330 -1.207127
H -9.188737 0.312835 -0.440123
H 8.619380 2.312975 0.079188


