%chk=000213833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213833

0 1
O -0.093427 -2.207143 0.971329
O -2.204340 -2.723672 0.355848
N 2.837658 -0.101119 0.134877
N -1.434215 -0.471708 0.354297
C 1.910745 -1.271735 0.044868
C 3.931654 -0.359465 1.130287
C 3.401821 0.243813 -1.212849
C 0.776268 -1.022995 1.051228
C 4.807736 0.895748 1.274906
C 4.272679 1.506431 -1.101683
C 5.397502 1.314643 -0.077246
C -0.136065 0.173782 0.704481
C -1.369369 -1.875095 0.526531
C -2.566875 0.274186 -0.091683
C -3.766406 -0.393526 -0.413175
C -2.481693 1.675446 -0.208782
C -4.864821 0.345245 -0.847763
C -3.597690 2.393006 -0.647032
C -4.788725 1.738061 -0.967736
H 1.483144 -1.374218 -0.976685
H 2.386086 -2.253689 0.262150
H 4.563581 -1.231506 0.854514
H 3.458057 -0.597714 2.106767
H 2.550224 0.440302 -1.899964
H 3.994352 -0.586461 -1.653988
H 1.129709 -1.009506 2.101619
H 5.613392 0.703647 2.006749
H 4.199503 1.724935 1.688691
H 3.639669 2.365788 -0.802364
H 4.690389 1.756612 -2.093968
H 5.976408 2.250398 0.032752
H 6.113996 0.551014 -0.434739
H -0.257136 0.863245 1.566051
H 0.262806 0.767942 -0.147368
H -3.841820 -1.481699 -0.323051
H -1.569330 2.210863 0.034377
H -5.792721 -0.171251 -1.096021
H -3.532721 3.477297 -0.737633
H -5.651723 2.304598 -1.307592


%chk=000213833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213833

0 1
O -0.110574 -2.284707 1.212814
O -2.235453 -2.777600 0.381085
N 2.780235 -0.117319 0.097157
N -1.387138 -0.534968 0.460368
C 1.822200 -1.245941 0.086428
C 3.881590 -0.310946 1.078716
C 3.311801 0.215504 -1.252466
C 0.783337 -1.088588 1.216601
C 4.749744 0.958049 1.198419
C 4.158398 1.503100 -1.206220
C 5.310000 1.368940 -0.182802
C -0.170749 0.110606 1.002412
C -1.362092 -1.928636 0.640032
C -2.477618 0.224282 -0.061315
C -3.636932 -0.402844 -0.598604
C -2.398680 1.644677 -0.048617
C -4.683359 0.389097 -1.113517
C -3.456167 2.420493 -0.568768
C -4.605669 1.801225 -1.106865
H 1.282275 -1.254013 -0.879600
H 2.315906 -2.239933 0.193270
H 4.530040 -1.174689 0.775863
H 3.446498 -0.563184 2.063405
H 2.456162 0.348352 -1.940312
H 3.939059 -0.621321 -1.657113
H 1.269229 -1.063260 2.204380
H 5.573170 0.772027 1.914358
H 4.129195 1.779135 1.606928
H 3.504218 2.348970 -0.918382
H 4.556635 1.715891 -2.216743
H 5.872853 2.318045 -0.105968
H 6.025185 0.596287 -0.533781
H -0.399571 0.644481 1.944236
H 0.280274 0.822853 0.290576
H -3.710776 -1.491998 -0.599145
H -1.523426 2.151813 0.367626
H -5.569409 -0.108310 -1.523765
H -3.377196 3.513301 -0.549567
H -5.424896 2.405630 -1.510123


