%chk=000233353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233353

0 1
O 6.972176 0.405788 0.868698
N 0.192761 -0.124256 -0.093374
N 3.021939 -0.673176 -0.448477
C 0.736139 -1.490814 0.211143
C 1.980039 -1.725591 -0.688384
C 1.229955 0.928124 0.169769
C 2.444309 0.678231 -0.744644
C -1.083361 0.181266 0.650252
C 4.234925 -0.944430 -1.291477
C 1.071641 -1.747550 1.686921
C -2.118800 -0.911915 0.424125
C -1.677820 1.499409 0.169215
C 5.421502 -0.088725 -0.826939
C -2.774885 -1.473285 1.529248
C -2.282491 2.351630 1.105395
C -2.442902 -1.348225 -0.869324
C -1.655805 1.863322 -1.185156
C 5.738326 -0.318213 0.650608
C -3.746045 -2.461231 1.339743
C -2.858237 3.555146 0.688223
C -3.412101 -2.336684 -1.053643
C -2.230160 3.068243 -1.597068
C -4.066050 -2.895054 0.050042
C -2.832804 3.916410 -0.662173
H -0.049831 -2.228322 -0.108559
H 2.421823 -2.713493 -0.439041
H 1.650458 -1.768459 -1.749550
H 1.555781 0.952232 1.232433
H 0.799849 1.926322 -0.064010
H 2.142369 0.795486 -1.808313
H 3.222979 1.443615 -0.535863
H -0.878019 0.264603 1.755266
H 4.496140 -2.020937 -1.181897
H 4.058753 -0.772064 -2.375721
H 1.895223 -1.103977 2.023622
H 0.210373 -1.575453 2.338175
H 1.396912 -2.781553 1.841180
H 6.319058 -0.325751 -1.434528
H 5.231169 0.989130 -0.999121
H -2.536109 -1.141692 2.537462
H -2.312622 2.078123 2.158004
H -1.929652 -0.911761 -1.727137
H -1.180446 1.202047 -1.911670
H 5.918860 -1.381905 0.882397
H 4.949984 0.080903 1.311583
H -4.254345 -2.892190 2.200380
H -3.328671 4.211493 1.418050
H -3.660976 -2.671006 -2.059249
H -2.210130 3.346059 -2.649320
H -4.822494 -3.663053 -0.095562
H -3.281607 4.853130 -0.985036
H 7.139522 0.505349 1.821001


%chk=000233353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233353

0 1
O 7.021730 0.538723 0.855778
N 0.209932 -0.110574 -0.024334
N 3.017292 -0.694395 -0.473969
C 0.738642 -1.497956 0.185074
C 1.951437 -1.688274 -0.753348
C 1.259398 0.908476 0.239715
C 2.480626 0.674908 -0.663733
C -1.076087 0.198676 0.666712
C 4.240045 -0.962075 -1.273094
C 1.098037 -1.855643 1.653424
C -2.119143 -0.913685 0.465436
C -1.663696 1.534818 0.168860
C 5.454500 -0.108655 -0.854208
C -2.773817 -1.483799 1.583116
C -2.408433 2.347282 1.057325
C -2.478254 -1.354558 -0.834285
C -1.529017 1.944323 -1.181623
C 5.798665 -0.256089 0.629909
C -3.770380 -2.473068 1.412792
C -3.017682 3.540696 0.607625
C -3.466376 -2.346160 -1.008483
C -2.132241 3.137937 -1.633625
C -4.119848 -2.908251 0.114942
C -2.883057 3.940160 -0.741975
H -0.048233 -2.195023 -0.155921
H 2.368402 -2.702974 -0.608459
H 1.592136 -1.609922 -1.811742
H 1.587454 0.903184 1.307067
H 0.844209 1.908756 0.029293
H 2.181014 0.845405 -1.730722
H 3.260969 1.414254 -0.408855
H -0.923217 0.303860 1.771698
H 4.488821 -2.033864 -1.139187
H 4.053901 -0.809482 -2.368736
H 1.981990 -1.292853 1.997983
H 0.252210 -1.658774 2.336562
H 1.335593 -2.933249 1.725212
H 6.329727 -0.423950 -1.453742
H 5.291939 0.961655 -1.079796
H -2.504128 -1.151344 2.593739
H -2.518234 2.041911 2.105829
H -1.973994 -0.919042 -1.703766
H -0.930775 1.325005 -1.859619
H 5.972139 -1.327071 0.874067
H 4.958981 0.108775 1.255148
H -4.268803 -2.902958 2.289081
H -3.592182 4.158102 1.307671
H -3.732892 -2.678486 -2.018421
H -2.017062 3.444272 -2.679885
H -4.891223 -3.674634 -0.021329
H -3.352498 4.866191 -1.092827
H 7.248088 0.524735 1.819325


