%chk=000245719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245719

0 1
O 1.750270 1.019625 -1.046502
N 1.733308 0.191856 -0.046583
C 2.311878 -1.180479 -0.449966
C 2.548207 0.746116 1.143208
C 3.787877 -1.041348 -0.833839
C 4.023655 0.881988 0.756106
C 4.613197 -0.464993 0.322363
C 0.281272 -0.015838 0.453697
C -0.650888 -0.318112 -0.724918
C -2.088345 -0.158414 -0.316467
C -2.829460 -1.266173 0.121663
C -2.696503 1.105895 -0.367787
C -4.165468 -1.109118 0.501846
C -4.031523 1.257106 0.013635
C -4.768935 0.150897 0.449500
H 1.733742 -1.545743 -1.325572
H 2.180195 -1.901570 0.377350
H 2.425510 0.088082 2.022822
H 2.137941 1.747876 1.394052
H 3.861114 -0.363962 -1.715953
H 4.186212 -2.020984 -1.152589
H 4.594541 1.309253 1.599647
H 4.102258 1.609767 -0.084589
H 4.637085 -1.171002 1.172812
H 5.665174 -0.332002 0.005613
H -0.047597 0.929307 0.940003
H 0.243916 -0.815332 1.214623
H -0.392734 0.382597 -1.562631
H -0.463480 -1.330360 -1.130937
H -2.367995 -2.249813 0.163067
H -2.125033 1.968445 -0.710050
H -4.737527 -1.971947 0.838433
H -4.499703 2.239216 -0.030655
H -5.808861 0.270865 0.744397


%chk=000245719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245719

0 1
O 1.680177 1.043794 -1.040876
N 1.723634 0.098922 0.028809
C 2.391947 -1.210419 -0.444899
C 2.540689 0.680082 1.201094
C 3.823274 -0.921847 -0.916828
C 3.976748 0.977275 0.750627
C 4.672352 -0.294194 0.212531
C 0.290022 -0.181565 0.539442
C -0.645390 -0.589946 -0.614775
C -2.098692 -0.284396 -0.283675
C -3.005554 -1.307901 0.091152
C -2.570310 1.055088 -0.330208
C -4.348189 -1.004624 0.416851
C -3.909770 1.361979 -0.006373
C -4.804733 0.332363 0.371135
H 1.769714 -1.578924 -1.274806
H 2.371659 -1.938086 0.391752
H 2.516561 -0.046096 2.039170
H 2.014240 1.603490 1.492162
H 3.750709 -0.218320 -1.765960
H 4.275805 -1.863427 -1.281523
H 4.535084 1.403540 1.605751
H 3.923955 1.742793 -0.044196
H 4.807905 -1.027888 1.035340
H 5.681058 -0.043800 -0.165004
H -0.044415 0.781292 0.959794
H 0.333537 -0.939259 1.346133
H -0.299521 0.010661 -1.481082
H -0.529274 -1.663042 -0.853854
H -2.659084 -2.348734 0.124415
H -1.881011 1.852782 -0.634924
H -5.035835 -1.809070 0.702512
H -4.258865 2.399908 -0.054868
H -5.845127 0.569269 0.620979


