%chk=000186619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186619

0 1
N 0.801838 1.031554 -0.196543
C -2.939724 0.716154 -0.150205
C -2.982370 -0.685412 0.136179
C -4.202748 1.527581 -0.277176
C -4.294052 -1.419735 0.238993
C -5.456454 0.678357 -0.515309
C -5.496581 -0.496555 0.466162
C -0.544869 0.634377 -0.126876
C -0.568455 -0.770713 0.163642
C -1.725644 1.380470 -0.284362
C -1.810170 -1.415409 0.292712
C 0.797757 -1.211079 0.256632
C 1.611273 -0.109331 0.033712
C 3.072706 -0.019755 0.017262
C 3.816690 -0.992701 -0.671677
C 3.737678 1.018849 0.690264
C 5.211459 -0.921140 -0.689386
C 5.132992 1.084035 0.666400
C 5.871376 0.116937 -0.023359
H -4.327707 2.121238 0.654653
H -4.100081 2.269544 -1.094914
H -4.442536 -1.999880 -0.697454
H -4.247895 -2.170089 1.054301
H -6.362115 1.303104 -0.408244
H -5.462970 0.300519 -1.556409
H -6.437333 -1.065282 0.349971
H -5.490365 -0.119539 1.507433
H -1.681280 2.441902 -0.501636
H -1.834891 -2.480399 0.512444
H 1.137231 1.946487 -0.421628
H 1.113455 -2.210636 0.472860
H 3.301114 -1.799180 -1.192707
H 3.168544 1.762474 1.245148
H 5.785851 -1.676228 -1.224169
H 5.646669 1.888471 1.190600
H 6.958309 0.170511 -0.039714


%chk=000186619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186619

0 1
N 0.807483 1.006773 -0.069013
C -2.964770 0.724846 -0.056516
C -3.019929 -0.708311 0.061918
C -4.241842 1.565700 -0.082974
C -4.361800 -1.444476 0.073087
C -5.504737 0.753595 -0.442080
C -5.563561 -0.533915 0.407788
C -0.536699 0.620585 -0.042810
C -0.565923 -0.814691 0.074178
C -1.716418 1.385933 -0.112089
C -1.827425 -1.459836 0.131466
C 0.805574 -1.264461 0.103926
C 1.634391 -0.135472 0.010731
C 3.099396 -0.031464 0.004911
C 3.900087 -1.159797 -0.334017
C 3.762427 1.186712 0.332163
C 5.306104 -1.073472 -0.342709
C 5.170376 1.274530 0.313024
C 5.952032 0.145612 -0.024108
H -4.391340 2.020474 0.919679
H -4.115380 2.411395 -0.786763
H -4.531620 -1.893282 -0.928888
H -4.313012 -2.292432 0.783397
H -6.407038 1.372951 -0.277611
H -5.487524 0.480031 -1.516366
H -6.508637 -1.080368 0.226070
H -5.545955 -0.261414 1.482487
H -1.682567 2.479010 -0.201406
H -1.882656 -2.551755 0.223263
H 1.142259 1.953514 -0.231097
H 1.148253 -2.291246 0.220583
H 3.410954 -2.100026 -0.610514
H 3.181718 2.064336 0.641874
H 5.901133 -1.954264 -0.609050
H 5.658147 2.220937 0.572380
H 7.045203 0.213246 -0.037313


