%chk=000235572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235572

0 1
O 1.119169 -0.685202 -0.983606
N -6.133502 0.955151 1.425016
N 6.428653 0.032475 0.581518
C -1.216001 -0.675281 -1.010073
C -2.493569 -0.237325 -0.355704
C -0.010044 -0.175369 -0.211612
C -3.106929 -1.045459 0.614415
C -3.086301 0.986299 -0.704242
C 2.390821 -0.427546 -0.512682
C -4.289171 -0.645209 1.232340
C -4.268429 1.404586 -0.097906
C -4.881821 0.584646 0.873556
C 2.704651 0.321687 0.625026
C 3.395930 -1.005315 -1.318263
C 5.063136 -0.066039 0.175263
C 4.048871 0.501140 0.965846
C 4.726392 -0.822189 -0.972976
H -1.149382 -0.306838 -2.055783
H -1.167787 -1.781089 -1.104273
H 0.030286 -0.600077 0.805054
H 0.049246 0.924942 -0.178038
H -2.655198 -1.998845 0.889336
H -2.618723 1.619042 -1.458825
H -4.758924 -1.285763 1.973458
H -4.722177 2.348813 -0.385431
H 1.932816 0.763204 1.247146
H 3.108417 -1.584887 -2.193498
H 4.301641 1.073794 1.855495
H 5.510600 -1.271763 -1.578952
H -6.358116 1.939070 1.400685
H -6.372678 0.534646 2.311117
H 7.098004 -0.052245 -0.172516
H 6.640120 0.842143 1.150209


%chk=000235572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235572

0 1
O 1.139840 -0.828056 -1.095397
N -6.020639 1.140957 1.638679
N 6.440179 0.280946 0.576736
C -1.278166 -0.780421 -1.083158
C -2.540474 -0.290306 -0.388778
C -0.012712 -0.318834 -0.339204
C -3.178775 -1.064023 0.614214
C -3.100623 0.977377 -0.692076
C 2.426918 -0.507237 -0.609905
C -4.326106 -0.601236 1.288704
C -4.247017 1.458584 -0.029490
C -4.880935 0.673888 0.977267
C 2.687168 0.251944 0.555861
C 3.512465 -0.999965 -1.374103
C 5.117435 0.025280 0.187477
C 4.019958 0.513571 0.946532
C 4.837696 -0.739336 -0.983756
H -1.224334 -0.400521 -2.120250
H -1.261517 -1.884369 -1.141752
H 0.001380 -0.721464 0.695511
H 0.025587 0.789593 -0.285451
H -2.775014 -2.052788 0.867470
H -2.635136 1.597377 -1.469137
H -4.801110 -1.226612 2.055119
H -4.660475 2.440638 -0.291751
H 1.870255 0.645371 1.168473
H 3.297131 -1.586074 -2.273204
H 4.206837 1.103579 1.852492
H 5.665379 -1.130278 -1.588540
H -6.425653 2.041965 1.404445
H -6.480545 0.575408 2.345322
H 7.219464 -0.056406 0.021164
H 6.641540 0.836644 1.401586


