%chk=000217916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217916

0 1
O -0.649537 0.623902 -0.700404
O 0.137109 0.216652 1.428739
O 3.275338 -0.935233 0.871015
N -4.007773 0.053779 0.741359
C -1.768554 0.863230 0.197509
C -2.773674 -0.278540 -0.034253
C 0.553954 0.312166 0.043983
C -4.764918 -1.173314 1.160541
C -4.987163 0.861275 -0.061931
C -1.142943 0.867357 1.600809
C -5.891610 -1.419910 0.133192
C -6.040514 -0.103304 -0.651050
C 1.542205 1.453712 -0.124052
C 1.106043 -1.023306 -0.374570
C 2.730198 1.434450 0.628750
C 2.348721 -1.525095 0.047236
C 2.971420 0.296587 1.578371
C 1.296682 2.496898 -1.019874
C 0.343536 -1.819210 -1.252786
C 3.661741 2.467509 0.482723
C 2.821137 -2.787051 -0.392595
C 2.229944 3.529937 -1.160614
C 0.795975 -3.058242 -1.690805
C 3.408063 3.515616 -0.409622
C 2.042352 -3.541307 -1.255531
H -2.169163 1.849737 -0.110917
H -2.331917 -1.235324 0.323242
H -2.941527 -0.411290 -1.124043
H -5.189147 -0.951509 2.163747
H -4.105196 -2.051426 1.278166
H -4.490477 1.462758 -0.843535
H -5.460958 1.575150 0.645662
H -0.959332 1.878423 1.996291
H -1.678325 0.250150 2.342068
H -6.831736 -1.699894 0.634898
H -5.638230 -2.254651 -0.540969
H -5.872888 -0.264436 -1.728674
H -7.056426 0.311868 -0.553294
H 3.893827 0.406988 2.181037
H 2.102483 0.117313 2.248798
H 0.375575 2.494053 -1.607627
H -0.619867 -1.432470 -1.599406
H 4.587003 2.456328 1.056204
H 3.790677 -3.133783 -0.041162
H 2.037381 4.342420 -1.858926
H 0.193122 -3.653113 -2.370972
H 4.135134 4.318725 -0.520795
H 2.396154 -4.513274 -1.599734


%chk=000217916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217916

0 1
O -0.656813 0.499261 -0.842851
O 0.020330 0.054615 1.363731
O 3.349290 -0.986299 0.838003
N -4.045287 0.153875 0.794416
C -1.781464 0.862437 0.068559
C -2.841102 -0.257141 0.025874
C 0.544017 0.204963 -0.033209
C -4.848286 -0.975866 1.344387
C -5.040360 0.923361 -0.013874
C -1.109375 1.009472 1.446992
C -5.794905 -1.434274 0.189111
C -6.038694 -0.125958 -0.632534
C 1.514241 1.394679 -0.116377
C 1.160701 -1.129569 -0.462958
C 2.682195 1.400160 0.697966
C 2.437371 -1.609128 -0.032338
C 2.960278 0.226111 1.606779
C 1.273127 2.470393 -0.998802
C 0.420514 -1.947337 -1.358733
C 3.576045 2.491999 0.623363
C 2.923513 -2.857584 -0.503377
C 2.170978 3.560745 -1.063663
C 0.901211 -3.185125 -1.823143
C 3.323778 3.576281 -0.248012
C 2.168345 -3.642796 -1.389300
H -2.205233 1.817293 -0.291935
H -2.403571 -1.158827 0.492693
H -3.053419 -0.501762 -1.040848
H -5.450765 -0.595086 2.192372
H -4.191796 -1.775266 1.726343
H -4.529905 1.531246 -0.780858
H -5.585377 1.613912 0.656557
H -0.738321 2.037003 1.623005
H -1.764424 0.685187 2.268506
H -6.732532 -1.875774 0.569443
H -5.293123 -2.196985 -0.433367
H -5.841398 -0.287303 -1.706636
H -7.081089 0.226443 -0.539105
H 3.839379 0.410559 2.243604
H 2.082434 -0.019905 2.229944
H 0.383863 2.435437 -1.634132
H -0.543740 -1.564953 -1.702515
H 4.476887 2.489791 1.248725
H 3.904955 -3.182441 -0.144169
H 1.972252 4.390796 -1.750802
H 0.300988 -3.780978 -2.518518
H 4.023005 4.418466 -0.294334
H 2.565183 -4.602826 -1.737786


