%chk=000198447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198447

0 1
O -1.358856 0.015815 -2.115243
O 1.845048 1.368406 1.349142
O 2.030905 -0.423518 -1.560155
O 0.348650 -1.490998 -0.565544
O -5.120024 1.166262 -0.887083
N 1.073050 2.421164 -0.532042
N -3.239305 -0.140262 -0.665395
N 5.483303 2.222342 -1.213260
N -5.221448 -0.502475 0.725534
N 3.765552 -1.595063 0.028160
N -5.202307 -2.154379 2.372900
N 3.864968 -2.091432 2.402698
N 1.988123 -2.752797 1.080071
C -0.196782 1.659992 -0.581124
C -0.104332 0.601276 -1.716659
C -2.591432 0.648819 -1.776234
C -1.365326 2.576765 -0.823458
C 4.322556 1.559014 -0.541273
C -2.480592 2.092597 -1.368291
C 3.442140 2.666972 0.088323
C 2.076960 2.082054 0.386876
C 4.850797 0.603725 0.551559
C 0.810191 -0.555799 -1.253333
C 5.038015 -0.831954 0.046334
C -2.599839 -1.203042 -0.064489
C -4.627862 0.241085 -0.276286
C -3.229182 -1.916619 0.931581
C -4.551755 -1.523922 1.321845
C 3.200653 -2.095455 1.171735
H -0.346412 1.138531 0.414611
H 0.292331 1.041150 -2.662101
H -3.199130 0.494200 -2.709661
H -1.253304 3.613590 -0.509609
H 1.297662 2.958452 -1.365705
H 3.685093 0.976785 -1.270768
H -3.391539 2.680824 -1.523320
H 3.399925 3.558805 -0.565042
H 3.904304 3.042997 1.026454
H 5.805989 0.994253 0.959283
H 4.142864 0.617244 1.413406
H 5.414539 -0.841466 -1.006338
H 5.810586 -1.361606 0.644911
H 6.147329 1.535003 -1.555930
H 5.178057 2.766499 -2.015145
H -1.570800 -1.462546 -0.412606
H -2.728252 -2.746869 1.410787
H 3.056647 -1.288595 -0.791360
H -4.887653 -3.053344 2.689852
H -6.170207 -1.923787 2.556582
H 3.565869 -2.717213 3.137273
H 4.833763 -1.809094 2.450698
H 1.461828 -2.929417 1.928049
H 1.350939 -2.505970 0.243890


%chk=000198447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198447

0 1
O -1.414424 -0.287109 -1.949768
O 1.633668 1.902157 1.386406
O 2.109637 -0.434797 -1.467435
O 0.438560 -1.498300 -0.267072
O -5.337861 0.798092 -1.398603
N 1.020732 2.401562 -0.802633
N -3.387779 -0.209151 -0.591064
N 5.582838 2.381490 -0.887532
N -5.494742 -0.482885 0.573799
N 3.922188 -1.380933 0.219207
N -5.595961 -1.741544 2.520320
N 4.563147 -3.276572 1.505701
N 2.365935 -3.071811 0.669234
C -0.241480 1.649972 -0.753500
C -0.138883 0.402412 -1.707552
C -2.677740 0.405829 -1.781815
C -1.441072 2.486702 -1.143988
C 4.320287 1.774980 -0.391263
C -2.569875 1.909226 -1.619594
C 3.319411 2.933496 -0.072826
C 1.928741 2.388658 0.249053
C 4.627851 0.933021 0.873736
C 0.864304 -0.610199 -1.116059
C 5.070072 -0.526084 0.591547
C -2.735031 -1.011250 0.316119
C -4.815182 0.071363 -0.497741
C -3.430399 -1.550487 1.386465
C -4.838590 -1.245319 1.479549
C 3.618487 -2.563982 0.788433
H -0.334342 1.304074 0.295778
H 0.254220 0.747766 -2.684540
H -3.309901 0.166994 -2.654495
H -1.370292 3.570691 -0.995449
H 1.333033 2.743968 -1.713805
H 3.832597 1.122599 -1.149880
H -3.468534 2.476781 -1.874862
H 3.288432 3.622420 -0.939680
H 3.701456 3.498620 0.794340
H 5.434177 1.452067 1.429712
H 3.739176 0.908395 1.528932
H 5.831542 -0.552588 -0.216312
H 5.542561 -0.929523 1.507622
H 6.388478 1.746869 -0.853958
H 5.496299 2.822788 -1.810089
H -1.672110 -1.214635 0.125807
H -2.919739 -2.188023 2.110743
H 3.201311 -0.995297 -0.495451
H -5.189910 -2.315286 3.253362
H -6.585781 -1.502671 2.540807
H 4.273878 -4.006511 2.151155
H 5.554901 -3.077502 1.413222
H 2.209231 -4.066285 0.828361
H 1.554775 -2.457248 0.302657


