%chk=000203178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203178

0 1
O -9.093290 -0.876631 -0.302746
O -2.065765 -1.196354 -0.116532
O 4.652230 0.136937 0.145623
O 2.291089 3.587889 0.712421
O 4.625477 2.364517 0.520870
N -6.275210 -0.648849 0.103225
N -1.683698 1.050617 0.256194
C -7.058406 -1.760011 0.737870
C -6.901199 -0.266553 -1.205570
C -4.838746 -1.031250 -0.073356
C -8.503363 -1.279502 0.949915
C -8.348988 0.178966 -0.943362
C -3.993575 0.246782 0.095885
C -2.520029 -0.087517 0.060369
C 8.048526 -1.412352 -0.079800
C 6.523209 -1.263818 -0.064904
C 8.462285 -2.872873 -0.309649
C 6.125588 0.188773 0.163832
C -0.262604 1.066395 0.270329
C 9.980643 -3.030606 -0.325958
C 0.357363 2.307281 0.483902
C 2.552860 1.202829 0.311663
C 0.511356 -0.105349 0.077809
C 1.760935 2.366304 0.502985
C 1.891260 -0.026861 0.100121
C 4.000905 1.320375 0.340871
H -6.595856 -2.000413 1.719070
H -7.057565 -2.691611 0.131671
H -6.321237 0.572375 -1.643198
H -6.893344 -1.095353 -1.946839
H -4.615826 -1.508143 -1.052630
H -4.533259 -1.772755 0.699344
H -8.553818 -0.434704 1.659361
H -9.171320 -2.096319 1.274884
H -8.914488 0.334414 -1.878715
H -8.391722 1.083835 -0.311928
H -4.273836 0.738394 1.054719
H -4.252839 0.981626 -0.693998
H 8.476167 -1.048963 0.875248
H 8.486171 -0.771434 -0.870193
H 6.085507 -1.626427 -1.017353
H 6.075561 -1.903210 0.723145
H -2.135131 1.958536 0.409950
H 8.037957 -3.239237 -1.265288
H 8.027881 -3.516809 0.480396
H 6.436347 0.588592 1.143612
H 6.447162 0.872364 -0.639634
H 10.267718 -4.075600 -0.490421
H 10.431376 -2.713351 0.621461
H 10.441461 -2.435997 -1.123135
H -0.200860 3.227085 0.636197
H 0.014991 -1.067684 -0.086964
H 2.499645 -0.926002 -0.047411
H 3.329404 3.581852 0.718439


%chk=000203178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203178

0 1
O -9.308294 -0.575342 -0.252964
O -2.234390 -1.417904 0.455236
O 4.666262 -0.019901 0.014470
O 2.268596 3.477835 -0.237159
O 4.564937 2.293722 -0.205926
N -6.433457 -0.695399 0.188567
N -1.743257 0.863480 0.172285
C -7.246530 -1.931067 0.025406
C -7.055507 0.424583 -0.565937
C -5.011022 -0.917924 -0.160194
C -8.686192 -1.678273 0.499984
C -8.501548 0.644259 -0.090512
C -4.096750 0.186062 0.410309
C -2.617819 -0.217841 0.341644
C 8.250402 -1.365247 -0.021144
C 6.705084 -1.343903 0.050171
C 8.831318 -2.793869 0.089371
C 6.158622 0.078575 -0.058763
C -0.324191 0.871996 0.123124
C 10.373187 -2.818706 0.020077
C 0.303137 2.131236 -0.027902
C 2.509611 1.033631 0.000429
C 0.458706 -0.320447 0.216460
C 1.708728 2.226189 -0.089978
C 1.853599 -0.218496 0.153286
C 3.966876 1.166580 -0.071604
H -6.794756 -2.737914 0.632583
H -7.269475 -2.271440 -1.040510
H -6.479671 1.353074 -0.393770
H -7.057563 0.219525 -1.667138
H -4.855839 -1.002739 -1.265620
H -4.685805 -1.875690 0.283048
H -8.682300 -1.434878 1.584334
H -9.326038 -2.557398 0.317989
H -9.006411 1.415015 -0.696172
H -8.496506 0.950894 0.978020
H -4.371610 0.327114 1.474810
H -4.262065 1.154359 -0.100092
H 8.671083 -0.737753 0.792004
H 8.586891 -0.908166 -0.974857
H 6.282643 -1.960257 -0.766525
H 6.366658 -1.793503 1.003347
H -2.186575 1.781327 0.083714
H 8.412050 -3.421153 -0.723228
H 8.493907 -3.251000 1.041578
H 6.503979 0.728312 0.766308
H 6.427748 0.561665 -1.016019
H 10.764104 -3.849548 0.098200
H 10.817086 -2.225768 0.841905
H 10.734462 -2.391589 -0.934394
H -0.276246 3.058316 -0.099247
H -0.040693 -1.282037 0.333777
H 2.470002 -1.119598 0.221492
H 3.285930 3.361202 -0.262477


