%chk=000216197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216197

0 1
O -0.498562 0.392923 1.033352
O 0.347601 3.452164 -2.585714
O -0.366629 4.499185 -0.738810
O 5.701990 -1.290935 -1.041677
O 4.915628 -2.277196 1.382902
O -7.000658 -0.764662 1.338583
N 0.079867 1.118320 -1.050886
N 0.074988 -1.693102 -1.651360
C 0.764854 2.310303 -0.520172
C -1.017035 -1.098007 -0.836663
C 2.289141 2.288260 -0.744978
C -1.609474 -2.047869 0.228574
C -0.448847 0.170064 -0.165429
C 2.969185 1.068083 -0.186872
C -3.052725 -1.729604 0.502154
C 0.172695 3.538241 -1.223163
C 4.014072 0.483658 -0.928796
C 2.605560 0.528439 1.053407
C -3.380386 -0.670247 1.372401
C -4.072395 -2.476916 -0.099372
C 4.668660 -0.629265 -0.409249
C 3.262191 -0.591271 1.575081
C 4.298901 -1.176344 0.845460
C -4.707350 -0.358997 1.641533
C -5.416471 -2.185017 0.155419
C -5.711398 -1.128089 1.025061
H 0.533071 2.407064 0.586893
H -1.837773 -0.778554 -1.539917
H 2.740268 3.192382 -0.276171
H 2.500328 2.385850 -1.833907
H -1.499623 -3.101411 -0.094063
H -1.023811 -1.970740 1.174046
H 0.306155 0.858130 -2.015553
H -0.275936 -2.463456 -2.214346
H 0.817072 -2.063138 -1.059997
H 4.303611 0.892369 -1.892636
H 1.783118 0.966664 1.627686
H -2.574303 -0.085988 1.833597
H -3.827031 -3.297285 -0.772500
H 2.979343 -1.012070 2.540217
H -4.983569 0.454598 2.309173
H -6.204112 -2.766765 -0.309818
H -0.052867 4.222162 -3.073281
H 5.939565 -0.859215 -1.897704
H 5.656707 -2.589290 0.791131
H -7.667916 -1.334428 0.886063


%chk=000216197-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216197

0 1
O -0.821201 0.847491 0.837159
O -0.560268 3.492180 -2.133978
O 1.241278 4.697352 -1.311278
O 6.218790 -1.341857 -0.509372
O 5.117452 -2.320430 1.758577
O -7.239326 -1.337395 1.753637
N 0.309284 1.138392 -1.181052
N -0.515125 -1.146463 -2.210655
C 1.065134 2.299853 -0.740946
C -1.334360 -0.670454 -1.065066
C 2.602358 2.139440 -0.913859
C -1.761967 -1.777145 -0.032606
C -0.596938 0.503006 -0.368108
C 3.208465 0.932877 -0.205928
C -3.208096 -1.678882 0.440392
C 0.625165 3.612501 -1.406059
C 4.401281 0.367895 -0.732402
C 2.668931 0.380539 0.983415
C -3.646626 -0.593531 1.249364
C -4.156653 -2.666052 0.074621
C 5.029977 -0.704194 -0.076556
C 3.301572 -0.701154 1.638499
C 4.486064 -1.249887 1.115545
C -4.985781 -0.497324 1.674392
C -5.504566 -2.583583 0.493955
C -5.915744 -1.492931 1.294915
H 0.825824 2.422907 0.336682
H -2.255199 -0.232522 -1.498320
H 3.063133 3.076662 -0.546437
H 2.836846 2.089376 -1.996107
H -1.611391 -2.756982 -0.523775
H -1.076517 -1.728648 0.834426
H 0.403238 0.720017 -2.118896
H -1.069983 -1.586251 -2.951816
H 0.265750 -1.749727 -1.922338
H 4.837065 0.775455 -1.655363
H 1.741631 0.775262 1.412119
H -2.917240 0.170641 1.540571
H -3.842137 -3.518305 -0.540841
H 2.885533 -1.127790 2.555810
H -5.326453 0.333403 2.299910
H -6.221920 -3.362454 0.202240
H -0.803762 4.387176 -2.498258
H 6.600343 -0.908575 -1.309487
H 5.938910 -2.556092 1.252037
H -7.807068 -2.084800 1.440930


