%chk=000206227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206227

0 1
O -1.893508 0.229349 -0.666420
O -0.017949 -1.507954 -3.096569
O -1.642198 2.822314 -0.226199
O -2.822044 -3.297532 0.092119
O 0.622040 -2.040063 2.181494
O -2.655149 0.311849 1.485070
O -0.910106 4.663294 0.920838
N 4.261037 0.148722 -0.049976
N -0.705997 -2.257295 0.344585
N -1.584126 -2.566682 -1.754705
C 0.304633 -1.642972 -0.604005
C 2.939762 -0.553274 0.105904
C 1.588181 -2.499028 -0.617086
C 1.755661 0.385525 -0.048074
C 2.815059 -1.660659 -0.961682
C 0.482949 -0.165623 -0.307825
C 1.912464 1.778153 0.108391
C 4.301282 1.378835 0.806178
C 3.276989 2.382230 0.263423
C -0.383180 -1.826829 -2.001933
C -0.622367 0.704646 -0.327333
C 0.804541 2.634042 0.073026
C -1.829274 -2.777859 -0.365820
C -0.461480 2.091242 -0.130822
C 5.390084 -0.757975 0.322520
C -0.499110 -2.249630 1.782364
C -1.700440 -2.486350 2.620224
C -2.881526 0.117255 0.320276
C -1.799628 4.085193 0.360086
C -4.128438 -0.321664 -0.355567
C -3.210342 4.487034 0.118700
H 2.841481 -1.017510 1.133174
H 1.486530 -3.348935 -1.319227
H 1.733036 -2.964678 0.386244
H 3.722755 -2.294041 -0.989543
H 2.734923 -1.212132 -1.973566
H 5.320966 1.817401 0.743623
H 4.103389 1.171224 1.880531
H 3.609366 2.743250 -0.738407
H 3.248127 3.276345 0.918391
H 0.926190 3.712143 0.215174
H -2.250530 -2.836459 -2.474118
H 6.341141 -0.240962 0.115224
H 5.366723 -1.652652 -0.323229
H 5.392697 -1.089952 1.371321
H -1.417235 -2.745136 3.652460
H -2.369397 -3.280361 2.241678
H -2.316421 -1.563344 2.679747
H -4.097016 -0.171833 -1.447430
H -5.003130 0.218766 0.038001
H -4.306235 -1.401292 -0.177210
H -3.706000 3.861376 -0.642433
H -3.267233 5.536409 -0.213532
H -3.800448 4.403877 1.047343


%chk=000206227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206227

0 1
O -1.859568 0.176184 -0.709397
O 0.161365 -1.604646 -2.994504
O -1.621697 2.860911 -0.311030
O -2.868634 -3.411165 0.090822
O 0.393153 -1.680892 2.332312
O -2.893055 0.751192 1.320453
O -1.058566 4.559572 1.223241
N 4.301938 0.174818 -0.169223
N -0.784103 -2.240491 0.420645
N -1.473591 -2.700469 -1.682015
C 0.287217 -1.672101 -0.479935
C 3.031694 -0.557712 0.091197
C 1.583491 -2.537349 -0.371156
C 1.815606 0.370398 -0.014526
C 2.830519 -1.772650 -0.840617
C 0.519878 -0.173527 -0.245881
C 1.964795 1.774669 0.128789
C 4.390948 1.359284 0.723513
C 3.339567 2.396380 0.310895
C -0.318471 -1.934911 -1.890808
C -0.589229 0.700828 -0.321124
C 0.841217 2.628478 0.070904
C -1.825757 -2.850300 -0.322839
C -0.436881 2.093519 -0.150567
C 5.497850 -0.685659 -0.034737
C -0.664924 -2.156741 1.841445
C -1.831784 -2.622652 2.683845
C -2.985587 0.328036 0.155292
C -1.879532 4.035715 0.450677
C -4.234206 -0.140596 -0.552110
C -3.287216 4.498705 0.161531
H 3.044426 -0.954994 1.145365
H 1.446362 -3.466623 -0.953776
H 1.712948 -2.817510 0.688062
H 3.692946 -2.458874 -0.781059
H 2.732322 -1.435150 -1.888222
H 5.401807 1.795122 0.631044
H 4.246923 1.070765 1.796859
H 3.652438 2.853061 -0.648410
H 3.292005 3.209813 1.059682
H 0.966546 3.705185 0.200428
H -2.079477 -3.039396 -2.430775
H 6.400138 -0.059812 -0.146324
H 5.526560 -1.447269 -0.831052
H 5.557284 -1.208004 0.954191
H -1.519125 -2.585539 3.737824
H -2.168850 -3.634976 2.409598
H -2.696794 -1.950388 2.538201
H -4.230147 0.182020 -1.605009
H -5.120014 0.251969 -0.031107
H -4.280028 -1.245388 -0.529921
H -3.481428 4.499370 -0.923682
H -3.441459 5.503834 0.579426
H -4.000324 3.795752 0.628967


