%chk=000218983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218983

0 1
O -0.502179 -1.452378 2.044521
O 1.844993 -0.578995 -0.460828
N -2.313105 0.130349 0.403864
C -2.828077 -0.427335 -0.909617
C -3.258733 1.216885 0.877112
C -0.865216 0.429965 0.507626
C -4.272823 0.078131 -0.939612
C -4.507324 0.963727 0.030391
C -2.086348 0.071530 -2.158618
C -2.788227 -1.959278 -0.832169
C -3.536185 0.988613 2.367987
C -2.761684 2.650364 0.626138
C -0.119311 -0.894965 0.774833
C 1.398040 -0.695450 0.921867
C 3.198147 -0.469311 -0.695737
C 4.193246 -0.446800 0.288069
C 3.502491 -0.372893 -2.070123
C 5.526127 -0.324569 -0.123286
C 4.836079 -0.252213 -2.445541
C 5.851594 -0.226875 -1.476878
H -0.431204 0.923147 -0.389311
H -0.694388 1.122037 1.363001
H -4.954729 -0.291770 -1.684141
H -5.423323 1.478901 0.256899
H -2.560052 -0.305049 -3.071754
H -2.086535 1.164829 -2.220164
H -1.043355 -0.265740 -2.176828
H -3.345167 -2.323667 0.040017
H -3.222031 -2.417722 -1.725045
H -1.755909 -2.326024 -0.729404
H -3.948366 -0.013942 2.539596
H -2.620503 1.065323 2.964494
H -4.253785 1.716712 2.757358
H -3.542711 3.381990 0.860671
H -1.893506 2.899071 1.244566
H -2.480312 2.799905 -0.421805
H -0.345718 -1.657187 -0.013393
H 1.865906 -1.577918 1.395031
H 1.669849 0.220546 1.468736
H -1.482425 -1.357614 2.153086
H 3.956893 -0.523945 1.343188
H 2.699281 -0.396981 -2.801007
H 6.315547 -0.306294 0.628320
H 5.095102 -0.177133 -3.501710
H 6.889534 -0.132375 -1.783999


%chk=000218983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218983

0 1
O -0.799508 -1.672470 1.489835
O 1.973681 -0.529724 -0.640905
N -2.309137 0.066394 0.170622
C -3.277581 -0.568016 -0.813460
C -2.941507 1.272242 0.844521
C -0.867380 0.139411 -0.159172
C -4.596121 0.052741 -0.365310
C -4.416018 1.035438 0.545535
C -2.988911 -0.210986 -2.303435
C -3.317359 -2.112448 -0.653207
C -2.634500 1.257190 2.363490
C -2.508617 2.644322 0.237380
C -0.158367 -1.185787 0.273090
C 1.323337 -0.988528 0.599673
C 3.360283 -0.310307 -0.609578
C 4.172398 -0.498518 0.537098
C 3.935387 0.126808 -1.829420
C 5.561717 -0.246919 0.448322
C 5.320248 0.373682 -1.900212
C 6.144085 0.188478 -0.761943
H -0.658675 0.356743 -1.223231
H -0.428500 0.961545 0.434647
H -5.552792 -0.294365 -0.767212
H -5.198431 1.637507 1.016873
H -3.815050 -0.574924 -2.941298
H -2.903647 0.880558 -2.445584
H -2.059122 -0.689542 -2.662637
H -3.578829 -2.390230 0.381773
H -4.073604 -2.545427 -1.334735
H -2.341844 -2.567662 -0.897501
H -3.020160 0.333986 2.829062
H -1.544858 1.304084 2.544795
H -3.099753 2.126177 2.865280
H -3.118855 3.456739 0.673371
H -1.449403 2.873309 0.456777
H -2.654931 2.657683 -0.856545
H -0.241294 -1.937827 -0.541593
H 1.766026 -1.946201 0.936889
H 1.440368 -0.232364 1.403114
H -1.717565 -1.239357 1.425895
H 3.742953 -0.834973 1.485238
H 3.284133 0.262412 -2.698686
H 6.187883 -0.394446 1.335675
H 5.758943 0.710609 -2.846214
H 7.220476 0.380563 -0.820674


