%chk=000117003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117003

0 1
O -3.597388 1.664190 -0.407298
O 3.598049 -1.663544 -0.406224
N -5.140909 -0.036491 -0.475908
N 5.141578 0.037178 -0.473276
N -2.785629 -0.508537 -0.302443
N 2.786191 0.509110 -0.301015
C -5.509156 -1.428111 -0.116729
C -6.241894 0.973724 -0.428171
C 5.509550 1.428747 -0.113649
C 6.242556 -0.973021 -0.424897
C -3.817576 0.459934 -0.378030
C 3.818192 -0.459294 -0.376313
C -1.384657 -0.212713 -0.324328
C 1.385231 0.213307 -0.323531
C -5.436418 -1.702138 1.384846
C -7.041689 0.941944 -1.728620
C 5.436347 1.702406 1.387967
C 7.043045 -0.941270 -1.724923
C -0.496920 -1.309472 -0.328463
C 0.878601 -1.098346 -0.326942
C -0.878024 1.098952 -0.323415
C 0.497493 1.310081 -0.324114
H -6.541914 -1.619208 -0.491460
H -4.850272 -2.132455 -0.674837
H -6.899435 0.777642 0.445574
H -5.798786 1.991210 -0.281157
H 6.542386 1.620055 -0.488065
H 4.850741 2.133154 -0.671767
H 6.899630 -0.776885 0.449183
H 5.799395 -1.990513 -0.278090
H -3.028469 -1.499696 -0.344426
H 3.029057 1.500314 -0.341670
H -4.435651 -1.513352 1.794036
H -6.129520 -1.064756 1.948069
H -5.693442 -2.743105 1.611335
H -6.391896 1.121539 -2.596613
H -7.535970 -0.021413 -1.891155
H -7.813288 1.720233 -1.729768
H 4.435422 1.513662 1.796771
H 6.129170 1.064787 1.951269
H 5.693467 2.743275 1.614801
H 6.393725 -1.120999 -2.593245
H 7.537302 0.022130 -1.887275
H 7.814723 -1.719477 -1.725597
H -0.873378 -2.330537 -0.332672
H 1.563098 -1.956261 -0.331497
H -1.562522 1.956870 -0.325369
H 0.873958 2.331151 -0.324899


%chk=000117003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117003

0 1
O -3.674225 1.767059 -0.073008
O 3.674660 -1.766565 -0.071950
N -5.155856 -0.033086 -0.234170
N 5.156393 0.033679 -0.230988
N -2.819020 -0.426640 -0.184985
N 2.819556 0.427259 -0.182419
C -5.456507 -1.461483 -0.457444
C -6.296588 0.906747 -0.135061
C 5.457145 1.462158 -0.453616
C 6.297058 -0.906269 -0.132171
C -3.865128 0.510612 -0.160329
C 3.865631 -0.510040 -0.157981
C -1.418410 -0.166351 -0.183975
C 1.418944 0.166981 -0.182710
C -5.478738 -2.308638 0.838909
C -6.797911 1.393327 -1.511694
C 5.479536 2.308725 0.843119
C 6.798509 -1.392277 -1.508961
C -0.544503 -1.286194 -0.185418
C 0.854406 -1.136067 -0.182389
C -0.853874 1.136696 -0.181616
C 0.545038 1.286825 -0.183409
H -6.448582 -1.518208 -0.941987
H -4.746488 -1.889699 -1.193428
H -7.110672 0.401452 0.420227
H -5.960730 1.772418 0.459295
H 6.449194 1.519033 -0.938200
H 4.747090 1.890750 -1.189341
H 7.111103 -0.401256 0.423428
H 5.961090 -1.772186 0.461765
H -3.064440 -1.416438 -0.160631
H 3.064978 1.417025 -0.156797
H -4.500236 -2.304741 1.352734
H -6.224463 -1.907868 1.547898
H -5.746031 -3.357605 0.613474
H -5.997133 1.948873 -2.028382
H -7.111232 0.549274 -2.154280
H -7.665690 2.067682 -1.388423
H 4.501064 2.304709 1.357006
H 6.225252 1.907560 1.551893
H 5.746924 3.357765 0.618142
H 5.997756 -1.947558 -2.025969
H 7.111938 -0.547954 -2.151140
H 7.666243 -2.066726 -1.385891
H -0.962324 -2.302236 -0.186539
H 1.516583 -2.003057 -0.172481
H -1.516065 2.003669 -0.171157
H 0.962860 2.302867 -0.182952


