%chk=000252172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252172

0 1
O -5.092511 0.211961 0.181907
O 5.093595 0.583703 -0.189036
O 1.340971 -0.477636 -1.827385
N -0.587675 -0.883515 0.164334
N -2.647904 -1.376642 -0.717255
N 0.782686 -0.955949 0.395465
N -1.256590 1.022990 1.664853
N -3.656737 1.470140 1.568008
N 2.893885 -0.060261 -0.097789
C -1.483916 0.033200 0.739541
C -1.354155 -1.715676 -0.748855
C -2.769779 -0.308614 0.188665
C -3.860370 0.476280 0.656629
C -0.713531 -2.755468 -1.569324
C -2.375319 1.695027 2.026712
C 1.647600 -0.455319 -0.649633
C 3.985281 0.131978 -0.810694
C 5.036606 0.865738 1.268117
C -6.193517 1.036453 0.682691
C 4.255187 -0.079914 -2.256226
C 6.434790 1.357551 1.563329
H 1.029659 -0.660568 1.365400
H -1.456928 -3.296012 -2.180081
H 0.024723 -2.304211 -2.264704
H -0.176468 -3.495324 -0.955393
H -2.264233 2.508183 2.763328
H 4.251023 1.623255 1.432191
H 4.774932 -0.075746 1.779873
H -7.041637 0.606909 0.137339
H -6.021012 2.085430 0.422592
H -6.289468 0.911531 1.765597
H 4.596701 -1.109314 -2.454643
H 5.032537 0.596730 -2.644685
H 3.335179 0.069605 -2.859716
H 6.547473 1.609328 2.625851
H 7.192813 0.601309 1.315281
H 6.681408 2.255169 0.978614


%chk=000252172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252172

0 1
O -5.180202 -0.094341 0.180712
O 5.130144 0.685602 -0.335265
O 1.253495 -0.407301 -1.796021
N -0.572776 -0.710193 0.337921
N -2.558323 -1.669247 -0.259430
N 0.793661 -0.538162 0.499937
N -1.387909 1.479821 1.176337
N -3.825372 1.654839 1.032213
N 2.929670 0.001009 -0.092157
C -1.554773 0.246778 0.630174
C -1.227095 -1.848234 -0.206052
C -2.782876 -0.380173 0.262741
C -3.944086 0.407244 0.495922
C -0.474807 -3.048438 -0.673131
C -2.577011 2.126838 1.344089
C 1.639275 -0.296060 -0.596766
C 3.883083 0.459868 -0.872519
C 5.338729 0.373694 1.115075
C -6.345966 0.782568 0.442574
C 3.838941 0.814134 -2.338506
C 6.793434 0.711135 1.422471
H 1.148552 -0.357031 1.441450
H -1.195991 -3.834650 -0.940749
H 0.135720 -2.798850 -1.560022
H 0.207975 -3.429011 0.108085
H -2.533295 3.131380 1.773756
H 4.623342 0.977900 1.700768
H 5.100488 -0.692778 1.275015
H -7.207610 0.185610 0.111987
H -6.260463 1.718940 -0.133356
H -6.412665 1.025032 1.516213
H 3.658134 -0.092892 -2.940340
H 4.785950 1.286808 -2.638567
H 2.989035 1.485446 -2.547109
H 7.006274 0.501021 2.486413
H 7.479618 0.106260 0.805540
H 7.000993 1.777736 1.231494


