%chk=000201747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201747

0 1
O 0.659495 0.436954 0.496121
O -1.859981 -0.903750 2.567495
O 6.201874 1.754884 -2.166884
N -5.401592 0.248909 -0.281500
N -1.876547 0.738154 0.964598
C -3.928283 -0.008651 -0.238146
C -5.945174 0.175305 -1.668685
C -6.138252 -0.631739 0.685167
C -3.353451 0.846952 0.913982
C -5.812923 -1.174639 -2.378724
C -7.516548 -0.041319 0.984909
C -1.259302 -0.190811 1.779786
C 0.270404 -0.260073 1.709854
C 2.001058 0.543273 0.210351
C 4.628238 0.914992 -0.624249
C 3.040896 0.027562 0.994019
C 2.242888 1.244820 -0.989929
C 4.355652 0.222595 0.561358
C 3.557770 1.422703 -1.394031
C 6.010014 1.150823 -1.130473
C 7.161262 0.620468 -0.322858
H -3.461266 0.292759 -1.199559
H -3.667711 -1.078117 -0.087652
H -7.018492 0.468645 -1.616897
H -5.439416 0.967981 -2.264364
H -6.240795 -1.676957 0.320575
H -5.549713 -0.683667 1.629715
H -3.784445 0.519157 1.890703
H -3.632934 1.915859 0.780929
H -4.767086 -1.472756 -2.505071
H -6.315924 -1.974975 -1.823442
H -6.264482 -1.138480 -3.376238
H -7.441321 1.024584 1.239174
H -8.193353 -0.121469 0.127350
H -7.985627 -0.554703 1.830812
H -1.342886 1.260938 0.271128
H 0.602586 -1.313541 1.651179
H 0.719218 0.239671 2.588082
H 2.850085 -0.512988 1.914996
H 1.408132 1.628038 -1.571818
H 5.170714 -0.177203 1.167985
H 3.785723 1.962671 -2.321430
H 7.124358 -0.471236 -0.221795
H 7.192854 1.055775 0.683553
H 8.119082 0.865999 -0.809578


%chk=000201747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201747

0 1
O 0.719506 0.666895 0.378669
O -1.880807 -0.717019 2.519100
O 6.589661 1.871417 -1.938639
N -5.515254 0.150442 -0.292068
N -1.893828 0.763676 0.703075
C -4.044694 -0.000387 -0.354963
C -6.196655 0.089971 -1.609193
C -6.134360 -0.665920 0.785106
C -3.353843 0.943320 0.666203
C -6.190316 -1.289280 -2.325309
C -7.551452 -0.197770 1.164318
C -1.281669 -0.057914 1.614419
C 0.247131 -0.147879 1.511413
C 2.096362 0.726470 0.126661
C 4.839958 0.978642 -0.548391
C 3.073172 0.043697 0.893846
C 2.481778 1.533804 -0.975713
C 4.434123 0.177128 0.549360
C 3.837831 1.654494 -1.304474
C 6.275292 1.145602 -0.948036
C 7.354819 0.425353 -0.143977
H -3.700833 0.259451 -1.374773
H -3.705986 -1.044356 -0.155220
H -7.241361 0.426227 -1.473891
H -5.715078 0.841567 -2.264290
H -6.157674 -1.753071 0.522108
H -5.484559 -0.583788 1.675878
H -3.735880 0.736151 1.680024
H -3.594184 1.991001 0.413926
H -5.158171 -1.650792 -2.489301
H -6.731249 -2.055623 -1.740890
H -6.683123 -1.209605 -3.312319
H -7.542719 0.877272 1.417056
H -8.276272 -0.353910 0.344845
H -7.915833 -0.763375 2.041516
H -1.294346 1.226946 0.015200
H 0.527674 -1.209296 1.370118
H 0.682996 0.216881 2.461423
H 2.790055 -0.582198 1.744767
H 1.706323 2.049589 -1.550165
H 5.180693 -0.353472 1.149554
H 4.161652 2.270606 -2.149714
H 7.206624 -0.670512 -0.168442
H 7.340190 0.739546 0.916455
H 8.339103 0.663418 -0.574772


