%chk=000200146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200146

0 1
O 0.816962 1.983571 1.677071
O -1.975021 0.582990 -2.943723
O -2.301206 -2.710701 -0.564187
O -3.648987 -2.166267 1.161253
O 5.605475 -1.899473 0.520209
C -0.966991 0.586976 0.740486
C -1.524335 0.046994 -0.606712
C 0.458721 1.226164 0.500320
C 0.534251 2.273863 -0.651836
C -1.476412 1.131782 -1.712003
C -1.942335 1.634250 1.328672
C -2.986081 -0.457603 -0.506728
C -0.067246 1.683815 -1.935302
C -3.354789 1.069282 1.506685
C -3.924444 0.544451 0.185347
C -0.830015 -0.560557 1.762115
C 1.544924 0.140044 0.275750
C -0.069723 3.629867 -0.292457
C -3.052523 -1.810020 0.173197
C 2.967880 0.719624 0.314117
C 3.987951 -0.343443 0.132962
C 4.355163 -0.956787 -1.127492
C 4.763386 -0.940324 1.097470
C -2.251153 -4.077313 -0.080038
C 5.325584 -1.880728 -0.848248
H -0.888290 -0.815679 -0.930158
H 1.628905 2.460681 -0.845334
H -2.209713 1.948934 -1.517368
H -1.982204 2.529533 0.670234
H -1.550900 2.005649 2.294973
H -3.355116 -0.609806 -1.565114
H -0.104220 2.458961 -2.727644
H 0.596894 0.894068 -2.335420
H -4.022141 1.847389 1.922005
H -3.346253 0.245618 2.253801
H -4.909908 0.069443 0.368338
H -4.115958 1.388384 -0.507150
H -0.383126 -1.460704 1.327557
H -0.226681 -0.260659 2.625726
H -1.811010 -0.856807 2.168019
H 1.369132 -0.369179 -0.690640
H 1.473913 -0.657358 1.039742
H -1.161665 3.581641 -0.165302
H 0.346211 3.989761 0.661806
H 0.145302 4.380166 -1.058951
H 0.828008 1.404287 2.465259
H 3.119790 1.262481 1.272841
H 3.081604 1.498518 -0.474707
H -1.415027 -0.149274 -3.264412
H 3.930592 -0.707577 -2.078971
H 4.885257 -0.853928 2.151626
H -1.855026 -4.627485 -0.939340
H -3.254345 -4.420024 0.197235
H -1.577777 -4.120043 0.780635
H 5.911218 -2.576347 -1.405810


%chk=000200146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200146

0 1
O 0.899680 1.988300 1.775816
O -2.020133 0.725228 -2.991996
O -2.240425 -2.706454 -0.652022
O -3.901150 -2.256886 0.909108
O 5.880101 -1.538862 0.688416
C -0.946859 0.572145 0.767635
C -1.540457 0.112864 -0.619627
C 0.478359 1.273320 0.542187
C 0.495204 2.378439 -0.568150
C -1.490042 1.227852 -1.702573
C -1.942793 1.545990 1.481705
C -3.012688 -0.419824 -0.518184
C -0.074620 1.798465 -1.886261
C -3.378622 0.981609 1.608795
C -3.950771 0.549808 0.240697
C -0.767029 -0.674083 1.689901
C 1.572198 0.190331 0.242251
C -0.142693 3.748152 -0.213177
C -3.118146 -1.840869 0.023183
C 2.986145 0.738140 -0.096658
C 4.050743 -0.330623 -0.001595
C 4.182633 -1.516335 -0.837919
C 5.096649 -0.386578 0.904900
C -2.301391 -4.126691 -0.233885
C 5.290416 -2.214721 -0.394582
H -0.920654 -0.725251 -1.002308
H 1.563925 2.605456 -0.732781
H -2.193957 2.040760 -1.458182
H -1.992706 2.502584 0.936757
H -1.543887 1.792765 2.483323
H -3.355083 -0.493136 -1.573876
H -0.105664 2.585450 -2.662826
H 0.586380 0.992102 -2.270655
H -4.029476 1.762357 2.048184
H -3.414306 0.125446 2.307214
H -4.936752 0.070929 0.378125
H -4.111121 1.445259 -0.390632
H -0.249638 -1.504220 1.179748
H -0.190137 -0.420706 2.602703
H -1.738022 -1.057421 2.040789
H 1.236287 -0.484613 -0.568372
H 1.677128 -0.446686 1.140201
H -1.234807 3.779731 -0.368313
H 0.070799 4.011398 0.835133
H 0.295836 4.528218 -0.863524
H 0.986454 1.322585 2.505451
H 3.220098 1.566188 0.598500
H 2.995306 1.161382 -1.119877
H -1.404612 0.021382 -3.325184
H 3.534893 -1.801215 -1.665989
H 5.426359 0.258154 1.714749
H -1.552680 -4.637017 -0.856295
H -3.310749 -4.534618 -0.410731
H -2.059759 -4.220655 0.838573
H 5.782735 -3.134224 -0.697464


