%chk=000205872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205872

0 1
O -2.606017 -2.018453 0.043840
O 2.607236 2.021082 -0.026367
N -1.163292 -0.447090 -0.735899
N 1.164586 0.449925 0.753988
C -0.740169 0.975535 -0.783714
C -0.026342 -1.374480 -0.477648
C 0.027640 1.377317 0.495723
C 0.741445 -0.972696 0.801800
C -2.448830 -0.858871 -0.304412
C 2.450081 0.861602 0.322233
C -3.574570 0.146735 -0.413164
C 3.575801 -0.144021 0.430965
C -4.922428 -0.512329 -0.089155
C 4.924120 0.515957 0.110753
C -6.074454 0.494368 -0.178571
C 6.076011 -0.491010 0.198879
C -7.417923 -0.172636 0.146147
C 7.420009 0.177042 -0.121466
C -8.578594 0.828291 0.059231
C 8.580518 -0.824205 -0.036065
C -9.917244 0.168080 0.381569
C 9.919645 -0.163043 -0.354451
H -0.081903 1.105053 -1.676241
H -1.606498 1.648225 -0.941636
H -0.417031 -2.416945 -0.378589
H 0.641361 -1.356341 -1.365692
H -0.640055 1.359187 1.383775
H 0.418333 2.419779 0.396641
H 1.607764 -1.645393 0.959741
H 0.083161 -1.102194 1.694316
H -3.603689 0.576706 -1.436306
H -3.394801 0.995426 0.277493
H 3.397280 -0.991132 -0.261978
H 3.603270 -0.576350 1.453140
H -4.880651 -0.968464 0.921196
H -5.095032 -1.363593 -0.779274
H 4.883745 0.974990 -0.898362
H 5.095777 1.365225 0.803538
H -6.112487 0.939120 -1.191758
H -5.897498 1.337749 0.516320
H 5.900215 -1.332154 -0.499015
H 6.112369 -0.939014 1.210690
H -7.383353 -0.620185 1.158360
H -7.598182 -1.017214 -0.546953
H 7.599192 1.019279 0.574754
H 7.387054 0.627993 -1.132223
H -8.401632 1.671999 0.754620
H -8.616795 1.273928 -0.954057
H 8.617276 -1.273015 0.975874
H 8.404504 -1.665721 -0.734343
H -10.740202 0.888607 0.317311
H -10.142104 -0.649388 -0.313089
H -9.927229 -0.251864 1.393920
H 10.742488 -0.883796 -0.291267
H 9.931079 0.260043 -1.365478
H 10.143545 0.652256 0.343060


%chk=000205872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205872

0 1
O -2.813066 -2.151241 0.137858
O 2.814443 2.153984 -0.119851
N -1.303778 -0.456323 -0.352965
N 1.305009 0.458678 0.369115
C -0.915675 0.939941 -0.639200
C -0.173086 -1.406756 -0.337253
C 0.174319 1.409108 0.353448
C 0.916904 -0.937578 0.655399
C -2.600144 -0.923946 -0.119379
C 2.601394 0.926376 0.135778
C -3.744456 0.099616 -0.191926
C 3.745929 -0.096827 0.209873
C -5.126221 -0.553103 0.011156
C 5.127770 0.556396 0.008947
C -6.278010 0.472024 -0.075699
C 6.279808 -0.468303 0.097523
C -7.670308 -0.169729 0.119334
C 7.672168 0.174012 -0.095200
C -8.831858 0.845751 0.025543
C 8.833978 -0.840995 0.000469
C -10.218419 0.194438 0.219224
C 10.220596 -0.189096 -0.190814
H -0.516157 1.009413 -1.672006
H -1.789887 1.603495 -0.563841
H -0.573705 -2.392713 -0.049503
H 0.262999 -1.477061 -1.355022
H -0.261762 1.479389 1.371222
H 0.574931 2.395071 0.065709
H 1.791108 -1.601143 0.580083
H 0.517358 -1.007023 1.688196
H -3.717507 0.616944 -1.173124
H -3.589063 0.885583 0.576212
H 3.591918 -0.882695 -0.558640
H 3.717723 -0.614348 1.190937
H -5.145712 -1.066163 0.990819
H -5.267317 -1.347350 -0.745847
H 5.148573 1.069536 -0.970648
H 5.267413 1.350641 0.766223
H -6.248711 0.983002 -1.061779
H -6.132166 1.264284 0.689286
H 6.135494 -1.260538 -0.667778
H 6.249130 -0.979396 1.083501
H -7.706009 -0.676081 1.106496
H -7.817055 -0.964700 -0.641297
H 7.817341 0.969007 0.665707
H 7.709286 0.680426 -1.082279
H -8.684960 1.639094 0.787042
H -8.794637 1.351806 -0.961066
H 8.795304 -1.347142 0.986975
H 8.688697 -1.634340 -0.761338
H -11.031272 0.940434 0.147173
H -10.401985 -0.581195 -0.548146
H -10.292619 -0.291961 1.210258
H 11.033631 -0.934767 -0.117466
H 10.296267 0.297430 -1.181675
H 10.402553 0.586537 0.576939


