%chk=000206337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206337

0 1
O 1.086760 -3.583897 1.557893
O 2.229698 -1.082176 0.555363
O 6.161171 2.921765 0.635198
N -1.866992 -1.742850 0.397187
N -4.310617 -0.197686 0.199100
C -2.363194 -0.920494 1.550184
C -3.035070 -2.235156 -0.406076
C -3.153426 0.289213 1.012936
C -3.826417 -1.027490 -0.947586
C -1.029782 -2.888103 0.869737
C 0.391284 -2.378793 1.185465
C -5.368645 0.722683 -0.056951
C 1.065045 -1.736806 -0.036055
C -5.603446 1.809118 0.818137
C -6.277184 0.494760 -1.117080
C -6.715700 2.628276 0.635041
C -7.383420 1.325924 -1.282471
C -7.610830 2.397903 -0.414186
C 3.038520 -0.329062 -0.264059
C 4.104766 0.275454 0.435067
C 2.866409 -0.161044 -1.643519
C 4.996720 1.064159 -0.284669
C 3.782146 0.641036 -2.333633
C 4.844022 1.254668 -1.666232
C 6.147465 1.732671 0.428213
C 7.255222 0.781777 0.829644
C 8.407154 1.496213 1.521351
H -3.000047 -1.502499 2.252728
H -1.485580 -0.554038 2.125211
H -2.648555 -2.828779 -1.262211
H -3.713264 -2.895365 0.178643
H -3.530763 0.888017 1.873491
H -2.483168 0.949081 0.417492
H -3.189244 -0.433974 -1.640937
H -4.699444 -1.398291 -1.532241
H -1.429893 -3.410791 1.766858
H -0.962010 -3.666703 0.076834
H 0.414800 -1.680899 2.053398
H 1.409775 -2.482705 -0.769891
H 0.416807 -0.977328 -0.511900
H -4.926822 2.003499 1.647781
H -6.127666 -0.338968 -1.799820
H 2.034118 -3.384266 1.721694
H -6.886779 3.459602 1.319016
H -8.077853 1.136426 -2.100935
H -8.473079 3.042820 -0.551846
H 4.194934 0.127725 1.508380
H 2.045578 -0.628669 -2.176911
H 3.659852 0.789057 -3.407396
H 5.541065 1.889361 -2.209844
H 7.618236 0.244097 -0.072297
H 6.838771 -0.009390 1.488787
H 8.067976 2.018885 2.426300
H 9.198262 0.796585 1.810740
H 8.852034 2.261648 0.870978


%chk=000206337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206337

0 1
O 1.194001 -3.540522 1.403678
O 2.381344 -1.121319 0.413071
O 7.451417 1.995698 -0.748517
N -1.911993 -1.759504 0.325997
N -4.353548 -0.196818 0.205081
C -2.479656 -1.128890 1.543512
C -3.021086 -2.153974 -0.577357
C -3.298531 0.123434 1.185600
C -3.835901 -0.915169 -0.983206
C -0.975453 -2.869060 0.626217
C 0.421206 -2.352137 1.018334
C -5.455815 0.688130 0.060625
C 1.097681 -1.610692 -0.134974
C -5.536290 1.910333 0.795369
C -6.548748 0.362651 -0.800941
C -6.663032 2.752864 0.681283
C -7.662632 1.216867 -0.914017
C -7.736819 2.420665 -0.173339
C 3.232965 -0.399207 -0.439492
C 4.426952 0.073861 0.153463
C 2.956664 -0.136978 -1.803698
C 5.357789 0.813141 -0.614851
C 3.893911 0.600753 -2.566473
C 5.084518 1.073724 -1.987249
C 6.640012 1.346074 -0.026311
C 6.937503 1.088802 1.455092
C 8.263221 1.710853 1.924618
H -3.137525 -1.847705 2.094168
H -1.661228 -0.831122 2.223060
H -2.595077 -2.617501 -1.486220
H -3.702291 -2.897481 -0.092402
H -3.769457 0.498658 2.110651
H -2.609675 0.912297 0.801220
H -3.182229 -0.241319 -1.584311
H -4.671605 -1.233274 -1.625027
H -1.335144 -3.531976 1.448016
H -0.870920 -3.502190 -0.275018
H 0.350267 -1.653285 1.879156
H 1.294001 -2.305463 -0.976851
H 0.466614 -0.766502 -0.471371
H -4.712532 2.224271 1.442515
H -6.547129 -0.575667 -1.364723
H 2.128424 -3.249620 1.565543
H -6.690688 3.684662 1.258511
H -8.486417 0.931638 -1.578949
H -8.606661 3.079437 -0.262909
H 4.597907 -0.146534 1.211210
H 2.034682 -0.492494 -2.272527
H 3.680875 0.802715 -3.621817
H 5.818378 1.645987 -2.562556
H 6.942131 -0.007864 1.624784
H 6.090110 1.478849 2.055607
H 8.257648 2.804856 1.781557
H 8.435103 1.495271 2.994312
H 9.112458 1.313977 1.342956


