%chk=000216018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216018

0 1
O 4.030083 -1.852137 0.345273
N 2.720373 -0.439777 -0.863198
C -0.178336 -0.104802 -0.457597
C 4.606570 0.479529 0.513945
C 0.827171 1.017122 -0.126056
C 0.506225 -1.478174 -0.312814
C 5.460804 1.171404 -0.582867
C 5.910462 0.067830 1.250093
C 2.085913 0.896361 -1.001594
C 1.782025 -1.560253 -1.164989
C -1.420270 -0.012918 0.472102
C 6.753645 0.785017 0.172560
C 3.774320 -0.696090 0.040345
C -2.145415 1.315650 0.371937
C -2.396721 -1.141962 0.198840
C -2.674970 1.886464 1.541120
C -3.053707 -1.255929 -1.035438
C -2.314723 1.980937 -0.851559
C -2.643602 -2.094316 1.200281
C -3.358304 3.103584 1.484965
C -3.943484 -2.308737 -1.264059
C -2.998121 3.198945 -0.903539
C -3.534304 -3.145658 0.967365
C -3.520558 3.764482 0.263222
C -4.185578 -3.256602 -0.264857
H -0.511471 0.013502 -1.517336
H 3.980887 1.176715 1.101430
H 0.360143 2.009183 -0.277107
H 1.104078 0.974315 0.944204
H 0.755158 -1.674573 0.748224
H -0.189384 -2.286996 -0.610534
H 5.289044 2.248239 -0.676188
H 5.368555 0.722829 -1.579693
H 6.061575 -1.021960 1.300830
H 6.004805 0.470977 2.262139
H 2.807775 1.702456 -0.758002
H 1.820797 1.031931 -2.075935
H 1.539346 -1.517988 -2.248382
H 2.305312 -2.529945 -0.981857
H -1.041181 -0.118769 1.525329
H 7.426909 0.126389 -0.387870
H 7.339835 1.633811 0.539001
H -2.561844 1.377265 2.496504
H -2.879143 -0.518494 -1.816501
H -1.915138 1.549718 -1.767921
H -2.142430 -2.018707 2.163230
H -3.767517 3.537282 2.396167
H -4.451347 -2.389245 -2.223816
H -3.125589 3.707326 -1.857901
H -3.720852 -3.880250 1.749189
H -4.053088 4.711881 0.220916
H -4.878632 -4.075365 -0.444801


%chk=000216018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216018

0 1
O 4.404177 -2.032447 0.083253
N 2.690328 -0.530075 -0.378707
C -0.228961 -0.122201 -0.238115
C 4.911843 0.342553 0.377477
C 0.781718 0.974165 0.185665
C 0.422266 -1.512796 -0.029239
C 5.570545 1.144430 -0.817673
C 6.349293 -0.035029 0.863867
C 2.130292 0.823812 -0.555029
C 1.772937 -1.624450 -0.767523
C -1.583617 0.015889 0.536118
C 6.935172 1.098814 -0.048042
C 3.990222 -0.827924 0.026602
C -2.265785 1.381579 0.358142
C -2.551386 -1.132505 0.196006
C -2.979604 1.944318 1.447400
C -3.210168 -1.199573 -1.059259
C -2.256794 2.091423 -0.870930
C -2.782567 -2.170530 1.133415
C -3.665679 3.171898 1.318212
C -4.067445 -2.277827 -1.369968
C -2.940963 3.320189 -1.007002
C -3.643617 -3.249724 0.829331
C -3.650616 3.866504 0.086588
C -4.288232 -3.308993 -0.426884
H -0.430519 -0.011515 -1.326691
H 4.419978 1.033356 1.087452
H 0.373403 1.982389 -0.011324
H 0.958293 0.897181 1.278074
H 0.584893 -1.684824 1.054165
H -0.249500 -2.312503 -0.390296
H 5.148404 2.137334 -1.050025
H 5.592952 0.539999 -1.741533
H 6.609948 -1.048325 0.517366
H 6.539720 0.034926 1.947013
H 2.848463 1.577577 -0.198897
H 1.970033 1.010557 -1.640338
H 1.601060 -1.579645 -1.865233
H 2.284539 -2.573858 -0.541230
H -1.333951 -0.084048 1.613530
H 7.830547 0.849735 -0.640375
H 7.127022 2.031925 0.510905
H -3.002808 1.408821 2.404956
H -3.068727 -0.397455 -1.792480
H -1.704332 1.693449 -1.730453
H -2.281435 -2.135054 2.108974
H -4.210166 3.585385 2.174798
H -4.568892 -2.311215 -2.344096
H -2.919008 3.851266 -1.965639
H -3.809376 -4.041033 1.569276
H -4.181475 4.819268 -0.018049
H -4.956321 -4.143695 -0.666758


