%chk=000288112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288112

0 1
O 1.607474 -1.483230 0.742205
O 4.747547 -0.570805 3.006473
O 2.985277 -1.785374 2.678213
O 4.989034 3.006596 -2.047250
O 6.172707 2.676800 -0.263802
O -4.528494 -1.574898 -1.700190
O -7.304410 1.983046 1.568291
O -6.965348 2.868614 -0.466019
N -2.945916 -0.369473 -0.515489
N 3.774733 -0.919591 2.358711
N 5.219324 2.450104 -0.986593
C 2.426019 -0.515967 0.260074
C 0.406702 -1.794466 0.042331
C 3.548556 -0.221993 1.080437
C -1.861704 -1.297515 -0.536698
C -0.646336 -0.881562 0.047308
C 2.233879 0.162935 -0.964648
C 4.466241 0.754831 0.664728
C 4.261230 1.420603 -0.546217
C 0.335147 -3.071668 -0.507763
C 3.145512 1.121556 -1.365354
C -1.972519 -2.581791 -1.107097
C -0.884414 -3.453262 -1.082573
C -4.219873 -0.572568 -1.096965
C -5.135362 0.600439 -0.916282
C -5.766773 0.856461 0.228452
C -6.705011 2.001503 0.333135
H -0.528303 0.093868 0.510992
H 1.375050 -0.079976 -1.594493
H 5.342103 0.990775 1.297547
H 1.188032 -3.747135 -0.469256
H 3.021708 1.660756 -2.315607
H -2.916154 -2.902123 -1.567409
H -0.983047 -4.450336 -1.519510
H -2.770046 0.513175 -0.024838
H -5.280237 1.201325 -1.826757
H -5.659427 0.256524 1.140350
H -7.955701 2.729921 1.690664


%chk=000288112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288112

0 1
O 1.217174 -0.412575 0.749177
O 3.962342 0.665725 3.451210
O 2.602794 -1.115099 3.006494
O 6.521880 1.402058 -2.316145
O 7.246182 1.437403 -0.149701
O -4.745722 -1.619074 -2.043789
O -7.299669 1.781054 2.115148
O -8.250703 1.568003 -0.004035
N -3.425062 -0.364867 -0.544856
N 3.332886 -0.120982 2.642674
N 6.343060 1.231936 -1.048127
C 2.470941 -0.102354 0.249052
C 0.202836 -0.985243 -0.080190
C 3.520010 0.123841 1.189408
C -2.154467 -0.983283 -0.688825
C -1.069041 -0.402944 0.021058
C 2.732538 0.111798 -1.130469
C 4.782258 0.580582 0.775696
C 5.010567 0.770488 -0.598957
C 0.444403 -2.140958 -0.852424
C 3.997490 0.540221 -1.558164
C -1.938052 -2.136605 -1.492743
C -0.644930 -2.697223 -1.557859
C -4.627344 -0.701869 -1.175439
C -5.819104 0.103143 -0.761907
C -6.040145 0.622071 0.479052
C -7.300817 1.346224 0.781627
H -1.200665 0.480485 0.655228
H 1.930050 -0.039725 -1.856908
H 5.570735 0.777656 1.506675
H 1.435439 -2.603183 -0.879491
H 4.212786 0.713862 -2.615590
H -2.772879 -2.573562 -2.041764
H -0.486516 -3.596078 -2.162394
H -3.454391 0.453148 0.068806
H -6.600508 0.188562 -1.527174
H -5.341020 0.509339 1.315662
H -8.148133 2.264124 2.309082


