%chk=000219557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219557

0 1
O -2.388352 3.241536 0.713053
O -0.302916 2.691654 0.690780
O -5.379999 -1.829354 -1.096714
O -5.862789 0.183008 -0.464311
N 1.374569 -0.669466 -0.294376
N 0.450535 0.312945 0.031687
N -1.501360 2.430422 0.525883
N -5.071210 -0.713137 -0.709999
C 3.551561 -1.628735 -0.427414
C 3.268969 0.666882 0.703216
C 3.446654 -2.857292 0.509845
C 3.811498 1.729671 -0.284645
C 2.638503 -0.504599 -0.000570
C 4.252373 -4.020203 -0.079838
C 3.930926 -2.526321 1.924793
C 4.658213 2.751405 0.482589
C 2.679001 2.429033 -1.040362
C -0.883174 0.065213 -0.175041
C -1.854517 1.094490 0.086845
C -1.356300 -1.213322 -0.635525
C -3.229521 0.819576 -0.092979
C -3.644507 -0.429154 -0.527111
C -2.690057 -1.456024 -0.805677
H 3.301198 -1.944015 -1.464709
H 4.599951 -1.272499 -0.472493
H 4.103648 0.305672 1.343374
H 2.567918 1.144477 1.418327
H 2.369887 -3.161697 0.563435
H 4.468225 1.212121 -1.028752
H 4.176854 -4.912757 0.552729
H 5.317093 -3.778931 -0.169616
H 3.891118 -4.300358 -1.075527
H 3.886505 -3.410550 2.572556
H 3.311287 -1.755101 2.394179
H 4.968509 -2.176269 1.932229
H 5.493543 2.279509 1.010031
H 5.085359 3.499467 -0.196389
H 4.064469 3.298914 1.224439
H 2.155119 1.747132 -1.718489
H 3.064561 3.250659 -1.657677
H 1.936871 2.876917 -0.363992
H 0.766787 1.262347 0.362727
H -0.613620 -1.990873 -0.848953
H -3.970233 1.613674 0.115559
H -3.058151 -2.430166 -1.154916


%chk=000219557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219557

0 1
O -2.451189 3.206154 1.071478
O -0.255484 2.604807 0.992441
O -5.471145 -1.762346 -1.294328
O -5.960945 0.309678 -0.461583
N 1.342121 -0.733239 -0.266447
N 0.422929 0.255211 0.092740
N -1.532613 2.350469 0.785424
N -5.125580 -0.623691 -0.782584
C 3.558352 -1.635774 -0.412575
C 3.211445 0.708248 0.682361
C 3.501380 -2.889177 0.521534
C 3.856220 1.723454 -0.322951
C 2.618454 -0.517869 0.008150
C 4.383204 -4.016250 -0.062958
C 3.918226 -2.558558 1.973360
C 4.609492 2.821176 0.463859
C 2.808577 2.345824 -1.275313
C -0.917636 0.052551 -0.121075
C -1.902682 1.059874 0.212956
C -1.393177 -1.178609 -0.687284
C -3.279906 0.832935 -0.004505
C -3.690777 -0.385207 -0.555670
C -2.749239 -1.397915 -0.902243
H 3.297229 -1.961717 -1.436856
H 4.597272 -1.253454 -0.436503
H 4.007205 0.361067 1.368477
H 2.476432 1.253193 1.308036
H 2.446458 -3.230664 0.529870
H 4.594992 1.165007 -0.935381
H 4.325258 -4.925181 0.563461
H 5.444911 -3.705124 -0.106215
H 4.066880 -4.288112 -1.087171
H 3.880494 -3.465658 2.603912
H 3.251687 -1.805894 2.433306
H 4.954999 -2.169862 2.008067
H 5.391991 2.392110 1.116982
H 5.096443 3.532929 -0.227518
H 3.910171 3.396855 1.099514
H 2.264691 1.575662 -1.852543
H 3.300562 3.020284 -1.999312
H 2.067743 2.945176 -0.712117
H 0.678011 1.177712 0.496232
H -0.645482 -1.931783 -0.940864
H -4.007702 1.605202 0.256798
H -3.115274 -2.333593 -1.332761


