%chk=000205660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205660

0 1
P -0.438518 1.388867 -0.858492
P -0.409756 -1.386684 -0.884203
N -1.400084 -0.015293 -0.191173
N 0.650665 0.016402 -1.325119
N 0.279216 2.089534 0.591246
N 0.323032 -2.099141 0.552191
C -2.799669 -0.032050 0.020062
C 2.031371 0.033350 -1.615976
C 0.396549 3.485083 0.802525
C 0.468238 -3.495625 0.738365
C -3.512532 1.179320 0.174554
C 2.712572 1.262861 -1.774246
C -3.484547 -1.261041 0.161889
C 2.737311 -1.178679 -1.798777
C -4.877165 1.148258 0.460902
C 4.063323 1.265339 -2.120491
C -4.849487 -1.264284 0.448277
C 4.087769 -1.146841 -2.144708
C 0.689617 3.926483 2.115809
C 0.774113 -3.954248 2.042811
C 0.263327 4.429298 -0.237235
C 0.349797 -4.423873 -0.317431
C -5.555196 -0.066676 0.596458
C 4.759948 0.067950 -2.308402
C 0.839901 5.287089 2.371424
C 0.951470 -5.315958 2.273995
C 0.414499 5.787765 0.047634
C 0.528146 -5.783942 -0.056967
C 0.701412 6.225971 1.342991
C 0.827749 -6.239168 1.229614
H 0.503717 1.496146 1.402551
H 0.537942 -1.515947 1.373416
H -3.022466 2.144906 0.088807
H 2.211346 2.216191 -1.633426
H -2.972273 -2.214136 0.066557
H 2.255488 -2.144596 -1.677360
H -5.419265 2.086885 0.579842
H 4.580520 2.217339 -2.243640
H -5.369923 -2.216278 0.557351
H 4.624126 -2.085498 -2.286849
H 0.796351 3.209940 2.925091
H 0.869728 -3.250073 2.864247
H 0.052939 4.133119 -1.260771
H 0.130240 -4.113949 -1.334951
H -6.618543 -0.080033 0.816168
H 5.811589 0.081304 -2.577323
H 1.065981 5.622254 3.383914
H 1.187323 -5.664390 3.279756
H 0.309000 6.515109 -0.758140
H 0.434052 -6.498942 -0.875107
H 0.817594 7.285668 1.550271
H 0.965063 -7.299885 1.417868


%chk=000205660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205660

0 1
P -0.278788 1.421552 -1.016466
P -0.237097 -1.413244 -1.047012
N -1.306945 -0.014504 -0.561286
N 0.871856 0.021126 -1.239603
N 0.197966 2.084466 0.562706
N 0.284060 -2.094513 0.510168
C -2.672394 -0.038641 -0.209789
C 2.197242 0.045539 -1.721260
C 0.301130 3.459839 0.902915
C 0.380490 -3.473484 0.837243
C -3.394248 1.174075 -0.016218
C 2.868564 1.284233 -1.932510
C -3.349795 -1.277552 -0.021242
C 2.896552 -1.167324 -1.984805
C -4.755801 1.140728 0.349187
C 4.199088 1.301732 -2.399069
C -4.711736 -1.295466 0.343458
C 4.227186 -1.134141 -2.450347
C 0.717307 3.815824 2.216151
C 0.837364 -3.844365 2.132730
C 0.000580 4.494318 -0.027889
C 0.033970 -4.497211 -0.089417
C -5.428018 -0.090330 0.530315
C 4.890437 0.096624 -2.663585
C 0.829370 5.171744 2.587811
C 0.944178 -5.204253 2.491109
C 0.117316 5.846071 0.357115
C 0.146662 -5.853129 0.281908
C 0.531011 6.198857 1.663068
C 0.600410 -6.220712 1.570364
H 0.427809 1.424872 1.313968
H 0.548490 -1.443503 1.257530
H -2.890165 2.139422 -0.144505
H 2.354266 2.230404 -1.725579
H -2.810725 -2.223539 -0.151783
H 2.403514 -2.132982 -1.820792
H -5.292727 2.085345 0.493198
H 4.697096 2.265583 -2.554905
H -5.213956 -2.259593 0.483283
H 4.747211 -2.078717 -2.647038
H 0.952121 3.027928 2.943005
H 1.108112 -3.064920 2.856191
H -0.322631 4.245641 -1.044467
H -0.319720 -4.237056 -1.092898
H -6.485316 -0.110049 0.813760
H 5.923593 0.116077 -3.025280
H 1.151339 5.424337 3.604449
H 1.297672 -5.468331 3.494262
H -0.118236 6.629915 -0.371916
H -0.124072 -6.628524 -0.443932
H 0.618416 7.250815 1.953230
H 0.683589 -7.275784 1.850269


