%chk=000216210.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216210

0 1
O -4.272813 -1.656825 -1.870571
O -4.386781 3.916126 1.509666
O -3.569407 2.407736 2.944645
N 1.359658 0.970352 -0.561952
N 0.911718 -1.008317 0.509385
N -4.802402 -0.710655 0.156838
N 4.191975 -0.345834 -0.434218
N -7.038715 -0.454855 0.934901
N 10.382352 0.146743 1.378424
N 10.495568 0.777850 -0.957423
C 0.002527 0.698604 -0.786689
C 1.864988 -0.094922 0.230033
C -0.263338 -0.545685 -0.105445
C 3.274504 -0.175740 0.726486
C -2.536967 -0.407957 -0.817711
C -1.556706 -1.103197 -0.129407
C -1.009278 1.379516 -1.493924
C -2.268366 0.812142 -1.502502
C 2.105015 2.120475 -1.081203
C -3.916936 -0.981700 -0.925953
C -4.396114 0.215433 1.253673
C 5.589795 -0.221076 -0.222158
C -4.741054 1.673625 0.909299
C -6.165577 -1.168560 0.151108
C 6.121906 0.531859 0.845059
C 6.458969 -0.785694 -1.186275
C -6.576763 -2.301325 -0.587257
C 7.499445 0.723357 0.936890
C 7.830210 -0.580147 -1.084669
C 8.361694 0.159383 -0.013451
C -4.162469 2.614995 1.913007
C -7.909519 -2.699536 -0.505092
C -8.328826 -0.870819 0.999283
C -8.807003 -1.985571 0.296983
C 9.832696 0.367830 0.075153
H 3.357123 -1.017291 1.462234
H 3.538370 0.758984 1.281344
H -1.751566 -2.047674 0.380699
H -0.797601 2.310485 -2.012195
H -3.079094 1.292009 -2.053601
H 1.755249 2.393425 -2.092953
H 3.186728 1.885956 -1.158448
H 1.984599 2.998081 -0.420230
H -4.914897 -0.081715 2.198565
H -3.305481 0.107312 1.454248
H 3.914390 -1.130864 -1.033059
H -4.399057 1.945148 -0.112635
H -5.853852 1.800458 0.872586
H 5.468690 0.979757 1.589101
H 6.059924 -1.361455 -2.018073
H -5.870512 -2.846472 -1.221068
H 7.907315 1.324514 1.752684
H 8.503329 -0.988324 -1.843303
H -8.249782 -3.570765 -1.067271
H -8.986177 -0.271194 1.640924
H -9.848007 -2.284728 0.373652
H -4.035202 4.583208 2.156645
H 11.379521 0.010571 1.447283
H 9.868617 -0.453641 2.006032
H 11.496688 0.925906 -0.894897


%chk=000216210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216210

0 1
O -4.527798 -0.383448 -2.257005
O -5.878584 3.834269 2.362429
O -4.234246 2.508268 3.325674
N 1.479804 1.247782 -0.978543
N 0.769847 -0.220240 0.638461
N -4.725000 -0.356519 0.092284
N 4.133175 -0.288113 -0.266034
N -6.624516 -1.080299 1.294518
N 10.446356 -0.000067 1.422896
N 10.554188 -0.778941 -0.866312
C 0.104163 1.085490 -1.181745
C 1.823174 0.445601 0.131620
C -0.327475 0.166410 -0.163636
C 3.218562 0.365105 0.684407
C -2.583725 0.314731 -1.034879
C -1.680200 -0.219733 -0.085078
C -0.786418 1.619299 -2.138031
C -2.128354 1.209088 -2.054830
C 2.368122 2.119769 -1.756814
C -4.011851 -0.149951 -1.120359
C -4.463916 0.513356 1.278241
C 5.526753 -0.299914 -0.104091
C -5.403170 1.737929 1.282867
C -5.874115 -1.210882 0.159104
C 6.182082 0.436245 0.923623
C 6.330203 -1.051470 -1.016327
C -6.184934 -2.177382 -0.841699
C 7.589103 0.419710 1.023031
C 7.725822 -1.063204 -0.900966
C 8.386738 -0.331394 0.124006
C -5.081816 2.679564 2.420739
C -7.285691 -3.027455 -0.628463
C -7.687873 -1.912131 1.477067
C -8.062429 -2.904620 0.549653
C 9.879136 -0.385177 0.199426
H 3.155094 -0.169057 1.653865
H 3.595988 1.386188 0.893258
H -2.004586 -0.936445 0.675811
H -0.460358 2.314975 -2.917606
H -2.858221 1.557854 -2.792075
H 2.174453 1.987749 -2.835529
H 3.414439 1.840015 -1.560995
H 2.212833 3.182301 -1.495221
H -4.624316 -0.074866 2.193524
H -3.418716 0.846916 1.253958
H 3.727170 -1.028456 -0.841122
H -5.342665 2.300319 0.332339
H -6.449234 1.398346 1.391149
H 5.604800 1.016432 1.650068
H 5.843953 -1.621523 -1.818292
H -5.595224 -2.243292 -1.754963
H 8.055847 1.036260 1.800824
H 8.349107 -1.626751 -1.602013
H -7.536603 -3.780359 -1.383119
H -8.250589 -1.762605 2.405581
H -8.925936 -3.548362 0.739793
H -5.649657 4.425233 3.130848
H 11.458246 0.030361 1.526391
H 9.879916 0.108695 2.260814
H 11.582440 -0.822298 -0.709327


