%chk=000131323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000131323

0 1
P 0.928627 -0.267759 3.352868
P 0.943831 2.070041 1.503773
P 0.275813 2.283210 -1.468333
O -1.267027 -3.194482 0.153242
O 1.557602 -1.374885 -0.544662
O 0.355320 -1.749681 2.957914
O 1.076424 0.446200 1.837934
O 1.785472 0.885662 -0.373903
O -0.413887 0.480065 3.882570
O 2.151272 -0.327881 4.139264
O -0.009925 2.203782 0.204604
O 2.407308 2.662077 1.187535
O 0.299375 2.653663 2.705993
O -0.350502 1.004280 -2.060949
O -0.972191 3.370505 -1.674363
O 1.599354 2.839749 -1.827476
N -2.996795 -1.952053 -0.822172
N -5.160113 -1.878030 -0.009025
N -2.706347 0.563817 -1.121631
N -4.673958 1.840431 -0.479478
N -6.642549 0.811827 0.329221
N 4.194137 1.690590 -1.700831
C 0.125623 -1.287279 -0.312554
C -0.219850 -2.360106 0.745088
C -0.579284 -1.755083 -1.596932
C -1.700959 -2.651976 -1.098702
C -0.777741 -1.823596 2.070348
C -3.360617 -0.601866 -0.774598
C -4.143422 -2.678102 -0.318235
C -4.713584 -0.573117 -0.278613
C 2.313094 -0.226490 -0.533038
C -5.370426 0.684747 -0.129710
C 3.714719 -0.514180 -0.747672
C -3.414893 1.740371 -0.940810
C 4.610800 0.445691 -1.306210
C 4.222980 -1.787080 -0.366707
C 5.996187 0.099079 -1.446662
C 5.555560 -2.101897 -0.514176
C 6.445893 -1.140441 -1.054434
H -0.148004 -0.255482 -0.000603
H 0.631950 -3.058585 0.929194
H 0.137423 -2.324705 -2.230571
H -0.892218 -0.915306 -2.255084
H -1.931523 -3.542511 -1.733269
H -1.439687 -2.581013 2.546372
H -1.331108 -0.871625 1.979381
H -4.115179 -3.758428 -0.221059
H -2.876267 2.689718 -1.204341
H 3.523025 -2.513223 0.059115
H -7.068378 1.723510 0.438019
H -7.171370 -0.004211 0.611623
H -0.412086 1.532539 3.856435
H 6.685735 0.832024 -1.858057
H 5.936452 -3.073378 -0.210976
H 7.502444 -1.398667 -1.157040
H 4.827245 2.322241 -2.164109
H 3.193089 1.959471 -1.745238
H 2.844864 2.413921 0.302134
H -1.536983 0.651116 -1.598311
H -0.795144 4.309892 -1.437191


%chk=000131323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131323

0 1
P 0.495544 -0.060347 3.789292
P 0.837223 2.333132 1.852160
P 0.173996 2.619686 -1.321211
O -1.148319 -3.291970 0.208858
O 1.793118 -1.626285 -0.286289
O -0.133516 -1.576135 3.307346
O 0.807674 0.619301 2.185509
O 2.130058 0.680089 -0.327368
O -0.867876 0.851595 4.271777
O 1.722982 -0.199501 4.762441
O -0.110381 2.461082 0.456040
O 2.434951 2.687031 1.451189
O 0.246083 3.111197 3.108469
O -0.510136 1.287102 -1.932235
O -1.059058 3.808440 -1.591349
O 1.640527 3.116088 -1.680308
N -2.890500 -1.900305 -0.724992
N -5.093224 -1.948957 -0.039245
N -2.799454 0.599051 -1.210282
N -4.895622 1.742653 -0.773474
N -6.786000 0.581682 0.018925
N 4.296588 1.571775 -1.712792
C 0.337192 -1.388231 -0.080887
C -0.222546 -2.382817 0.968338
C -0.391835 -1.727184 -1.410782
C -1.578034 -2.601884 -1.002197
C -1.021601 -1.756858 2.139782
C -3.364728 -0.588008 -0.817222
C -3.983428 -2.666076 -0.250404
C -4.722550 -0.643433 -0.392045
C 2.594713 -0.492489 -0.497539
C -5.488337 0.558487 -0.375963
C 3.954334 -0.775831 -0.938701
C -3.609553 1.715575 -1.159992
C 4.762319 0.292151 -1.494615
C 4.497786 -2.090745 -0.815330
C 6.112600 -0.027601 -1.861477
C 5.816098 -2.373153 -1.187970
C 6.623739 -1.320904 -1.708618
H 0.205161 -0.342652 0.228777
H 0.570397 -3.025223 1.384149
H 0.285388 -2.367476 -2.002061
H -0.606723 -0.829353 -2.005756
H -1.811411 -3.390018 -1.735970
H -1.776812 -2.485392 2.476571
H -1.516387 -0.806307 1.866289
H -3.877280 -3.732675 -0.067038
H -3.123824 2.652556 -1.452627
H 3.855979 -2.873068 -0.399873
H -7.288631 1.468663 0.022304
H -7.240029 -0.277958 0.326444
H -0.698636 1.846576 4.139771
H 6.746056 0.767115 -2.273721
H 6.224745 -3.381229 -1.072985
H 7.661225 -1.523629 -1.998125
H 4.915255 2.243776 -2.163930
H 3.318781 1.858393 -1.568804
H 2.752295 2.103021 0.687854
H -1.722949 0.838393 -1.541738
H -0.823826 4.726180 -1.301469


