%chk=000226041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226041

0 1
O 1.004660 -3.219024 0.184639
O 0.740249 -1.737213 1.735459
O -3.437593 2.312173 -0.266843
O 2.978581 2.556009 0.864133
O -4.003450 0.350540 0.656415
O 3.545873 1.384761 -0.958634
N 0.634012 -2.134632 0.585710
C -0.003551 -1.144127 -0.443936
C -1.226737 -0.515502 0.252997
C 1.101504 -0.134072 -0.814273
C -0.411245 -1.954591 -1.672207
C -1.887730 0.577482 -0.586087
C 1.538600 0.779424 0.330257
C -3.199928 0.986924 0.021039
C 2.775331 1.540652 -0.042118
H -0.932564 -0.108321 1.247848
H -1.976798 -1.306876 0.487071
H 1.989789 -0.676318 -1.218182
H 0.750475 0.482058 -1.670183
H -0.785280 -1.311816 -2.477670
H -1.200640 -2.685273 -1.444038
H 0.430691 -2.536690 -2.081950
H -1.224530 1.464900 -0.695473
H -2.080151 0.225088 -1.625623
H 1.740350 0.197597 1.267566
H 0.732234 1.487217 0.625543
H -4.305539 2.638422 0.096479
H 3.803787 3.080910 0.677059


%chk=000226041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226041

0 1
O 1.092920 -3.295060 0.122515
O 0.652146 -1.844432 1.812357
O -3.654430 2.224596 -0.622330
O 3.074227 2.515359 1.005032
O -3.664278 0.735033 1.161202
O 3.361963 1.601153 -1.110080
N 0.608217 -2.195659 0.573157
C -0.019299 -1.171710 -0.457588
C -1.248829 -0.539977 0.245236
C 1.126654 -0.162376 -0.781057
C -0.399572 -1.962750 -1.721842
C -1.915180 0.569639 -0.591553
C 1.573718 0.745937 0.380032
C -3.140375 1.138955 0.102090
C 2.741548 1.625343 -0.024282
H -0.952044 -0.139574 1.228179
H -1.991297 -1.332225 0.452801
H 1.996870 -0.725638 -1.164968
H 0.782601 0.462382 -1.626563
H -0.808589 -1.270632 -2.478379
H -1.161982 -2.728898 -1.499909
H 0.476813 -2.468785 -2.155397
H -1.226531 1.410393 -0.797104
H -2.244233 0.199904 -1.581462
H 1.877669 0.156312 1.265582
H 0.760688 1.406160 0.734990
H -4.462703 2.578060 -0.160368
H 3.853710 3.068190 0.724709


