%chk=000286659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286659

0 1
O 7.575046 2.631361 -0.812692
O 4.419501 1.756081 1.977681
O 6.593156 1.242431 -2.273878
O 7.588913 -3.646401 -1.289967
O 9.133274 -2.439963 -0.208478
N 4.870434 0.655059 0.038852
N -1.539126 0.090770 0.116778
N -4.773884 0.651791 0.589495
N -5.398267 -2.003952 -0.234306
N -7.594943 -1.304036 -0.830243
N -8.284713 1.059990 -0.517444
N -6.824067 2.661514 0.353479
N -9.749579 -0.556523 -1.405007
C 6.318835 0.873489 0.166371
C 7.112401 -0.425213 0.392178
C 6.927496 -1.467251 -0.712058
C 2.543816 0.898245 0.745977
C -2.523237 0.028052 1.233612
C 3.979276 1.164905 1.006558
C -0.200264 0.423314 0.373735
C 6.799645 1.549688 -1.123221
C -3.879738 -0.327311 0.676496
C 1.728041 0.555532 1.838126
C 1.972459 1.029395 -0.531248
C 0.370608 0.313000 1.663673
C 0.618123 0.799347 -0.725137
C -4.199847 -1.692397 0.253051
C 8.018463 -2.493426 -0.668889
C -6.016497 0.345179 0.094226
C -6.363546 -0.993495 -0.333898
C -3.190970 -2.781573 0.357392
C -7.049571 1.365257 -0.022774
C -8.506165 -0.264034 -0.903405
H 6.506414 1.573188 1.044344
H 6.812198 -0.857149 1.372006
H 8.193739 -0.176932 0.504690
H 5.934486 -1.963544 -0.635719
H 6.928328 -0.991096 -1.725964
H 4.555810 0.082875 -0.739333
H -2.572523 0.997211 1.789679
H -2.195293 -0.748270 1.965779
H -1.935162 0.429788 -0.762101
H 2.172441 0.486306 2.835915
H 2.591657 1.331171 -1.379099
H -0.238039 0.040849 2.520785
H 0.187502 0.904294 -1.717757
H -2.992385 -3.044975 1.407014
H -3.529944 -3.706258 -0.144136
H -2.231323 -2.492103 -0.101972
H 7.924370 3.108520 -1.615592
H 8.285740 -4.355820 -1.310110
H -5.931475 2.939051 0.735044
H -7.551870 3.355901 0.272850
H -10.456462 0.157711 -1.473507
H -9.971980 -1.498342 -1.692453


%chk=000286659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286659

0 1
O 8.264449 2.225610 -0.795836
O 4.577315 0.509491 2.217982
O 6.281510 2.243852 -2.002577
O 7.543209 -3.319704 -1.825782
O 8.235003 -2.937250 0.357420
N 4.933468 0.925788 -0.030549
N -1.582204 0.223585 0.190181
N -4.848012 0.720221 0.531915
N -5.450948 -2.010506 -0.086617
N -7.628301 -1.367363 -0.788581
N -8.310017 1.014756 -0.683790
N -6.817270 2.657752 0.104571
N -9.745348 -0.651812 -1.455353
C 6.374227 1.089446 0.183583
C 7.132161 -0.264132 0.350232
C 6.984216 -1.183203 -0.873774
C 2.628911 0.547933 0.763001
C -2.580225 0.159228 1.270911
C 4.093194 0.654841 1.044964
C -0.209537 0.338120 0.400037
C 6.923978 1.902969 -0.981164
C -3.932070 -0.259844 0.726629
C 1.752380 0.444654 1.874024
C 2.057189 0.538797 -0.540808
C 0.361779 0.347980 1.709387
C 0.670511 0.434592 -0.722845
C -4.246198 -1.641601 0.412117
C 7.652300 -2.527729 -0.669290
C -6.068130 0.349830 0.034067
C -6.400193 -1.016125 -0.288060
C -3.238442 -2.744196 0.645475
C -7.098713 1.355542 -0.191757
C -8.507420 -0.335518 -0.956520
H 6.536419 1.656046 1.122243
H 6.720923 -0.753696 1.248690
H 8.196657 -0.050511 0.548741
H 5.915064 -1.365310 -1.097119
H 7.412615 -0.732751 -1.790609
H 4.571369 1.212120 -0.943648
H -2.697750 1.139057 1.777804
H -2.237854 -0.572545 2.027794
H -1.937684 0.388586 -0.752262
H 2.198958 0.448059 2.874032
H 2.687131 0.587545 -1.437239
H -0.279084 0.293918 2.594393
H 0.253624 0.415763 -1.737447
H -3.128092 -2.953990 1.727335
H -3.591109 -3.663373 0.154336
H -2.239541 -2.474232 0.260083
H 8.594182 2.753099 -1.573050
H 7.981897 -4.198261 -1.660110
H -5.894016 2.878184 0.478180
H -7.523460 3.375052 -0.042932
H -10.430423 0.086026 -1.594066
H -9.951295 -1.623591 -1.672947


