%chk=000244748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244748

0 1
O 1.303917 1.793358 -1.477944
N 2.003100 1.013384 1.679031
N 3.102718 1.475959 1.978294
C 3.429879 0.516553 -0.218931
C 1.966288 0.369782 0.316674
C 4.145278 1.301583 0.920733
C 4.065566 -0.817218 -0.501748
C 0.933258 1.074730 -0.573993
C -0.505360 0.787668 -0.331747
C 4.478668 -1.123162 -1.806822
C 4.247195 -1.762316 0.520779
C -1.001452 0.363493 0.909247
C -1.394908 0.978830 -1.405468
C 5.069219 -2.359647 -2.084286
C 4.837715 -2.996115 0.238651
C -3.249879 0.294420 -0.005322
C -2.366438 0.120108 1.071799
C -2.756005 0.726082 -1.247988
C 5.250322 -3.297542 -1.063737
C -4.695811 0.028821 0.168032
C -5.345552 -0.898855 -0.661323
C -5.420937 0.704463 1.162179
C -6.709882 -1.148864 -0.492987
C -6.786127 0.453387 1.321567
C -7.431719 -0.473328 0.496452
H 3.418056 1.146766 -1.146671
H 1.675973 -0.703969 0.434607
H 5.022208 0.770075 1.340416
H 4.505762 2.295744 0.589019
H 4.339350 -0.399797 -2.609650
H 3.928624 -1.535228 1.537387
H -0.331317 0.235130 1.763806
H -1.005918 1.333650 -2.364570
H 5.388154 -2.591183 -3.099723
H 4.977121 -3.725341 1.035623
H -2.747645 -0.210107 2.037938
H -3.440439 0.875440 -2.082477
H 5.710547 -4.259513 -1.281235
H -4.784138 -1.427297 -1.430505
H -4.919933 1.429087 1.803035
H -7.211659 -1.871548 -1.134727
H -7.347990 0.981418 2.090709
H -8.495008 -0.668399 0.624077


%chk=000244748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244748

0 1
O 1.264311 1.615000 -1.827934
N 1.897180 0.959644 1.487998
N 2.981217 1.585208 1.742760
C 3.422022 0.451099 -0.406000
C 1.958687 0.271224 0.087427
C 4.004157 1.465175 0.631110
C 4.192900 -0.860510 -0.477178
C 0.895547 0.920744 -0.832902
C -0.545704 0.692486 -0.530351
C 4.695221 -1.333063 -1.715690
C 4.414618 -1.643486 0.688078
C -0.993754 0.082448 0.673877
C -1.514067 1.107878 -1.487200
C 5.401017 -2.555628 -1.792272
C 5.119324 -2.864539 0.615423
C -3.341903 0.286923 -0.055313
C -2.367840 -0.113364 0.902217
C -2.883013 0.906061 -1.255276
C 5.615648 -3.326016 -0.626655
C -4.794730 0.067778 0.188148
C -5.685298 -0.189111 -0.891810
C -5.331098 0.108450 1.505768
C -7.061275 -0.399598 -0.663021
C -6.707224 -0.099951 1.735440
C -7.580096 -0.356110 0.652170
H 3.391387 0.917541 -1.405233
H 1.684247 -0.784137 0.265954
H 4.957236 1.142172 1.084531
H 4.147598 2.480141 0.218402
H 4.528983 -0.740201 -2.623642
H 4.037199 -1.297328 1.659697
H -0.272659 -0.210269 1.442124
H -1.162062 1.595309 -2.402311
H 5.782092 -2.905507 -2.758367
H 5.281993 -3.455442 1.523967
H -2.690663 -0.606880 1.825206
H -3.611733 1.257335 -1.993934
H 6.163225 -4.273289 -0.684535
H -5.293230 -0.257289 -1.912845
H -4.673085 0.337784 2.351514
H -7.726809 -0.606188 -1.508559
H -7.100018 -0.053174 2.757195
H -8.648746 -0.518820 0.830222


