%chk=000219518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219518

0 1
O 0.096855 1.779584 1.329248
C 0.043295 0.889239 0.185625
C 1.317184 1.097066 -0.667005
C -1.201965 1.241799 -0.661726
C -0.034445 -0.488735 0.867199
C 2.604466 0.956684 0.153581
C -2.493411 1.249674 0.164267
C -0.103386 -1.657585 -0.117972
C 3.837058 1.391232 -0.649447
C -3.671466 1.822621 -0.633771
C -0.179770 -3.001104 0.620964
C 5.122720 1.230383 0.172818
C -4.963633 1.810028 0.193911
C -0.249123 -4.177448 -0.361721
C 6.359524 1.668325 -0.624237
C -6.145518 2.386600 -0.598231
C -0.326243 -5.521743 0.375829
C 7.641555 1.509519 0.190263
C -7.433826 2.375826 0.221753
C -0.395601 -6.696925 -0.596912
H 1.322062 0.373251 -1.503743
H 1.287875 2.097445 -1.139086
H -1.293237 0.523435 -1.498214
H -1.060215 2.232299 -1.134254
H 0.839162 -0.598908 1.541885
H -0.912313 -0.498421 1.545260
H 2.516604 1.559114 1.081639
H 2.722845 -0.091711 0.490635
H -2.333258 1.837951 1.091750
H -2.729663 0.221687 0.502200
H 0.782853 -1.646106 -0.782390
H -0.984418 -1.544147 -0.779719
H 3.727000 2.444614 -0.970999
H 3.909402 0.797368 -1.580705
H -3.815264 1.241035 -1.564491
H -3.442823 2.856493 -0.956193
H -1.063579 -3.014307 1.287723
H 0.698704 -3.115986 1.285009
H 0.149607 2.709072 1.048410
H 5.237009 0.177075 0.493531
H 5.049822 1.820660 1.106624
H -5.196391 0.776741 0.515664
H -4.819740 2.388133 1.127093
H 0.634751 -4.166319 -1.027957
H -1.127271 -4.064150 -1.025973
H 6.247839 2.723215 -0.942641
H 6.434488 1.076966 -1.557669
H -5.915105 3.421693 -0.917822
H -6.291686 1.807535 -1.530937
H 0.552834 -5.637633 1.039656
H -1.211243 -5.535280 1.041758
H 7.802398 0.467887 0.490612
H 8.518665 1.824208 -0.385897
H 7.615754 2.112883 1.104849
H -8.271419 2.789413 -0.350694
H -7.711981 1.359456 0.522911
H -7.334999 2.971895 1.136149
H -0.449457 -7.651332 -0.061379
H -1.277733 -6.633746 -1.244069
H 0.485551 -6.735120 -1.247358


%chk=000219518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219518

0 1
O 0.078879 1.942616 1.503062
C 0.030745 1.034624 0.315269
C 1.316050 1.253873 -0.534219
C -1.219278 1.394335 -0.539036
C -0.048834 -0.371330 0.953021
C 2.644897 0.952280 0.191510
C -2.575614 1.245928 0.183722
C -0.095389 -1.549440 -0.044262
C 3.881386 1.409364 -0.615080
C -3.742981 1.890735 -0.597112
C -0.163244 -2.918699 0.669904
C 5.219457 1.090637 0.089502
C -5.111150 1.712205 0.098965
C -0.198662 -4.117407 -0.304316
C 6.459971 1.537734 -0.717327
C -6.279700 2.379652 -0.661570
C -0.263407 -5.485780 0.412119
C 7.791156 1.221338 -0.001413
C -7.641215 2.194254 0.043098
C -0.292063 -6.679229 -0.567045
H 1.250734 0.645906 -1.459401
H 1.322514 2.314680 -0.870249
H -1.218324 0.780620 -1.462618
H -1.105064 2.448462 -0.876671
H 0.821262 -0.488650 1.626219
H -0.941313 -0.400461 1.606218
H 2.635531 1.450973 1.180802
H 2.727524 -0.135920 0.387705
H -2.499242 1.706634 1.188539
H -2.800830 0.172372 0.345243
H 0.800072 -1.530383 -0.698804
H -0.974597 -1.449817 -0.713631
H 3.816628 2.503029 -0.798020
H 3.870768 0.927321 -1.615757
H -3.792427 1.458214 -1.619019
H -3.539906 2.974695 -0.729584
H -1.061770 -2.947281 1.321314
H 0.711603 -3.020943 1.345864
H 0.126003 2.875703 1.167722
H 5.282899 -0.001273 0.280730
H 5.234490 1.580487 1.085518
H -5.323892 0.628913 0.217843
H -5.056893 2.131123 1.125603
H 0.700144 -4.088774 -0.955757
H -1.074102 -4.017721 -0.980211
H 6.393805 2.627851 -0.912246
H 6.445925 1.043501 -1.710406
H -6.067057 3.462272 -0.777745
H -6.332386 1.961956 -1.687911
H 0.609486 -5.582636 1.089783
H -1.163250 -5.514668 1.060112
H 7.896279 0.134354 0.177110
H 8.661981 1.551641 -0.597388
H 7.841853 1.727715 0.981032
H -8.459739 2.681174 -0.518579
H -7.891846 1.121254 0.144284
H -7.622522 2.630207 1.059942
H -0.337543 -7.644640 -0.030023
H -1.172065 -6.622718 -1.235634
H 0.611965 -6.689462 -1.205118


