%chk=000221533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221533

0 1
O -9.371032 0.370946 0.730508
N 2.997722 0.014265 -0.297946
C 1.729095 -0.494952 -0.917101
C 0.527620 0.101607 -0.163237
C -0.796047 -0.447903 -0.707195
C -1.996028 0.148250 0.041357
C 3.291708 1.417894 -0.740467
C 4.150677 -0.900080 -0.592691
C -3.323564 -0.401772 -0.497406
C -4.521912 0.197673 0.250621
C 4.224674 2.084703 0.285066
C 4.065608 -2.131228 0.325892
C -5.850334 -0.353400 -0.285337
C 4.494107 3.549763 -0.079248
C 5.266584 -3.062266 0.119602
C -7.042122 0.250376 0.462959
C 5.423738 4.217970 0.931510
C 5.187466 -4.289927 1.024563
C -8.367767 -0.297622 -0.065924
H 1.656192 -0.272624 -2.002345
H 1.706740 -1.603795 -0.820681
H 0.627348 -0.122871 0.917938
H 0.544109 1.206662 -0.234112
H -0.881488 -0.228771 -1.788877
H -0.810784 -1.551605 -0.619885
H -1.909085 -0.069631 1.123656
H -1.982538 1.251986 -0.044346
H 2.334041 1.983686 -0.784898
H 3.733539 1.468066 -1.757769
H 5.098133 -0.353797 -0.384352
H 4.195535 -1.211866 -1.657278
H -3.408565 -0.185747 -1.579806
H -3.337038 -1.505153 -0.407770
H -4.435333 -0.016140 1.333789
H -4.508548 1.301346 0.160943
H 5.177844 1.525562 0.355352
H 3.771235 2.013461 1.294098
H 4.010794 -1.797799 1.381684
H 3.120416 -2.678928 0.145193
H -5.934763 -0.139158 -1.368590
H -5.862966 -1.456802 -0.191212
H 3.538523 4.107796 -0.130858
H 4.937485 3.613237 -1.092145
H 6.208083 -2.513583 0.318993
H 5.320623 -3.382530 -0.939200
H -6.971006 0.047362 1.550804
H -7.044454 1.356059 0.377953
H 6.396269 3.715115 0.979647
H 5.607459 5.265680 0.669372
H 4.998120 4.201593 1.941665
H 4.285857 -4.880440 0.826186
H 6.050975 -4.947786 0.877163
H 5.165874 -4.008130 2.083795
H -8.533409 -0.047733 -1.128160
H -8.463109 -1.386987 0.083562
H -10.260599 0.077671 0.464866


%chk=000221533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221533

0 1
O -9.569355 0.221514 0.808225
N 3.052667 0.026680 -0.342960
C 1.757347 -0.432507 -0.910202
C 0.535426 0.098065 -0.130305
C -0.808689 -0.363238 -0.737599
C -2.035581 0.135222 0.058797
C 3.396919 1.416724 -0.742645
C 4.162577 -0.934428 -0.575896
C -3.383665 -0.333900 -0.533174
C -4.607234 0.154294 0.274244
C 4.277955 2.146375 0.293812
C 4.127524 -2.141838 0.385282
C -5.956428 -0.321307 -0.310479
C 4.660328 3.576851 -0.150693
C 5.273801 -3.146236 0.125629
C -7.170795 0.166688 0.511500
C 5.530902 4.313146 0.890494
C 5.232318 -4.357874 1.082006
C -8.506247 -0.307179 -0.066615
H 1.660120 -0.151431 -1.991237
H 1.737817 -1.538282 -0.875025
H 0.618795 -0.246198 0.918894
H 0.560395 1.206255 -0.097601
H -0.884167 -0.008197 -1.787216
H -0.830592 -1.472748 -0.783503
H -1.954983 -0.215049 1.109062
H -2.019469 1.244502 0.100470
H 2.454188 1.984741 -0.857650
H 3.902073 1.442757 -1.743586
H 5.118681 -0.398076 -0.425496
H 4.172717 -1.302440 -1.635165
H -3.468724 0.023078 -1.581160
H -3.395277 -1.443156 -0.581228
H -4.518572 -0.199483 1.322625
H -4.599095 1.263300 0.319457
H 5.203793 1.565170 0.481035
H 3.731330 2.179655 1.256313
H 4.180319 -1.762043 1.424139
H 3.156531 -2.669869 0.295031
H -6.046160 0.037316 -1.357664
H -5.960261 -1.430719 -0.359036
H 3.736336 4.161535 -0.339482
H 5.200705 3.529922 -1.118711
H 6.248236 -2.626010 0.229345
H 5.221690 -3.501295 -0.924409
H -7.091197 -0.194749 1.555229
H -7.179063 1.273192 0.554851
H 6.477059 3.768751 1.071687
H 5.787714 5.335148 0.555762
H 5.003063 4.396378 1.859151
H 4.283407 -4.916131 0.971657
H 6.062942 -5.060341 0.884454
H 5.307226 -4.031849 2.136481
H -8.627198 0.071363 -1.105877
H -8.535955 -1.419010 -0.094944
H -10.452490 -0.065333 0.463825


