%chk=000187485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187485

0 1
O 1.738639 -0.052338 -1.404869
O 1.563674 1.734928 0.108331
O 5.229887 0.771518 0.733133
O 3.915266 -1.728611 1.109080
O 4.191287 1.740140 -2.159290
O 1.344682 -3.202613 -0.016918
O 0.004673 -1.455442 0.394583
O -4.152126 0.994009 -1.405240
O -3.527060 -3.033154 0.829913
O -5.670496 -2.906204 0.195491
N -2.952782 -0.797003 -0.654022
C 4.324212 0.246103 -0.240011
C 3.269280 -0.656552 0.445587
C 3.650183 1.488966 -0.860213
C 2.265083 -1.133945 -0.622079
C 2.138881 1.284270 -1.126193
C 1.062964 -1.856771 -0.012737
C 0.192208 1.976126 0.182063
C -0.757325 1.180622 -0.462421
C -0.157806 3.033020 1.037140
C -2.107275 1.440219 -0.203316
C -1.513295 3.284064 1.251849
C -2.491622 2.493050 0.635242
C -3.172372 0.576597 -0.812920
C -3.944850 -1.763662 -1.140049
C -4.526423 -2.589774 -0.008495
H 4.922638 -0.306517 -0.999970
H 2.759091 -0.109489 1.284907
H 3.811236 2.376146 -0.193608
H 2.745488 -1.802910 -1.384399
H 1.741800 1.822805 -2.016423
H 5.415629 0.093032 1.429990
H 4.257763 -2.403521 0.479421
H 5.080050 2.158809 -2.076647
H -0.447141 0.362129 -1.116653
H 0.617760 3.625121 1.518817
H 0.619151 -3.755001 0.387164
H -1.814315 4.102934 1.906449
H -3.550792 2.696456 0.802941
H -2.171819 -1.172263 -0.104501
H -4.784508 -1.224289 -1.666029
H -3.483295 -2.451277 -1.890813
H -3.877723 -3.556429 1.600116


%chk=000187485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187485

0 1
O 1.674125 -0.175598 -1.361064
O 1.556659 1.700246 0.210655
O 5.604035 0.488352 -0.082591
O 4.320527 -1.839578 0.719256
O 3.988775 1.937238 -2.327162
O 1.658749 -2.427786 1.540244
O -0.116456 -1.755471 0.206666
O -4.446189 1.046465 -0.862188
O -4.041555 -2.534367 0.733811
O -4.984832 -3.751251 -1.005058
N -2.902758 -0.702103 -0.942560
C 4.317410 0.118654 -0.662850
C 3.476203 -0.714152 0.318545
C 3.588622 1.425659 -1.017825
C 2.223928 -1.200789 -0.459045
C 2.058732 1.216176 -1.076364
C 1.107248 -1.774796 0.421985
C 0.161540 1.945256 0.367043
C -0.827316 1.207034 -0.313467
C -0.185916 2.942050 1.305548
C -2.191945 1.447694 -0.022258
C -1.551848 3.204763 1.552273
C -2.557352 2.463801 0.892699
C -3.273756 0.605376 -0.643537
C -3.866438 -1.622821 -1.524166
C -4.356304 -2.744511 -0.612119
H 4.465811 -0.477121 -1.589778
H 3.185647 -0.102564 1.194730
H 3.807325 2.158571 -0.216296
H 2.559101 -2.028061 -1.119082
H 1.613129 1.774512 -1.917088
H 6.001650 -0.337280 0.300647
H 3.837365 -2.354510 1.416568
H 4.963797 2.111492 -2.305157
H -0.533470 0.447535 -1.041021
H 0.607138 3.499007 1.813635
H 0.935881 -2.838333 2.088540
H -1.828604 3.987360 2.266585
H -3.619790 2.647453 1.078969
H -2.011986 -1.069579 -0.592148
H -4.751931 -1.020978 -1.811143
H -3.478758 -2.101629 -2.442132
H -4.427691 -3.278119 1.272098


