%chk=000200797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200797

0 1
O 0.950329 2.856865 -0.243772
N 3.533978 -0.619298 -0.076680
N 0.044645 0.766665 -0.441334
N -0.976689 -0.108200 -0.365923
C 4.493450 0.525514 -0.226418
C 4.093467 -1.680367 0.824417
C 5.812672 0.020045 -0.832495
C 5.409727 -2.216727 0.235925
C 6.427119 -1.087071 0.033168
C 2.205366 -0.136652 0.418476
C 1.363186 0.177259 -0.837220
C -0.052523 2.171931 -0.148889
C -1.406551 2.621411 0.241769
C -2.180537 0.336211 -0.014827
C -2.427893 1.728790 0.303957
C -3.286482 -0.647281 0.046438
C -1.544214 4.068486 0.550681
C -4.499419 -0.369595 -0.604835
C -3.127920 -1.848986 0.753540
C -5.549076 -1.288456 -0.537206
C -4.184107 -2.762266 0.816292
C -5.394607 -2.483172 0.174600
H 4.692583 1.046477 0.734926
H 4.029483 1.273449 -0.906628
H 3.350586 -2.505675 0.879691
H 4.262639 -1.318395 1.861042
H 6.517771 0.863348 -0.943344
H 5.623021 -0.367835 -1.853497
H 5.201930 -2.707608 -0.736361
H 5.822731 -2.996938 0.899938
H 7.343074 -1.480530 -0.444611
H 6.741526 -0.676244 1.010944
H 2.272722 0.761170 1.070892
H 1.696453 -0.922885 1.015676
H 1.204541 -0.746720 -1.438642
H 1.885627 0.917020 -1.488866
H -3.436620 2.022416 0.596590
H -1.258156 4.686283 -0.317522
H -0.866192 4.365030 1.368694
H -2.563054 4.351332 0.841613
H -4.618064 0.553050 -1.170379
H -2.180101 -2.069981 1.244090
H -6.489255 -1.075049 -1.043507
H -4.060854 -3.694895 1.364976
H -6.215412 -3.196326 0.225418


%chk=000200797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200797

0 1
O 1.035144 2.882843 -0.431810
N 3.527323 -0.641919 0.046546
N 0.045833 0.752149 -0.520609
N -0.995810 -0.132397 -0.403038
C 4.455201 0.505389 -0.138288
C 4.106136 -1.669875 0.947762
C 5.793563 0.039131 -0.744698
C 5.434572 -2.208184 0.375806
C 6.437648 -1.055505 0.137013
C 2.162826 -0.213967 0.418724
C 1.353449 0.142620 -0.854764
C -0.011782 2.166032 -0.313478
C -1.347887 2.670638 0.032319
C -2.210075 0.363252 -0.075622
C -2.399744 1.777189 0.147656
C -3.315103 -0.629229 0.037593
C -1.469938 4.154308 0.255390
C -4.676267 -0.224254 0.105385
C -3.021397 -2.021404 0.072810
C -5.709843 -1.180243 0.210769
C -4.053594 -2.973857 0.177130
C -5.405527 -2.559575 0.249107
H 4.652046 1.012949 0.843176
H 3.975808 1.254050 -0.794042
H 3.376002 -2.494087 1.052711
H 4.294250 -1.255096 1.974123
H 6.472881 0.907173 -0.847422
H 5.604923 -0.363082 -1.758755
H 5.223985 -2.719080 -0.583724
H 5.858086 -2.957995 1.071893
H 7.363286 -1.439367 -0.332301
H 6.728611 -0.614656 1.113386
H 2.166765 0.665951 1.105352
H 1.650740 -1.042761 0.942059
H 1.161599 -0.764230 -1.446610
H 1.913136 0.875759 -1.456423
H -3.388440 2.150672 0.430731
H -1.147860 4.706244 -0.646952
H -0.789681 4.480822 1.063491
H -2.502272 4.446062 0.510241
H -4.945709 0.836225 0.058735
H -1.975135 -2.335080 0.014685
H -6.752489 -0.846744 0.257584
H -3.806006 -4.040890 0.205267
H -6.208355 -3.300381 0.331889


