%chk=000287912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287912

0 1
O -3.242924 0.335467 1.450319
O 0.399852 1.826072 -1.988318
O -1.325944 2.038400 0.353486
N 0.108329 0.355345 -0.236250
N 0.418285 -0.934758 0.110158
C 2.384006 1.308167 -0.748666
C 0.937195 1.241232 -1.086013
C -2.098834 -0.237596 0.805429
C -1.152006 0.850683 0.319039
C 2.829072 1.283570 0.580612
C 3.302626 1.464458 -1.800136
C 1.655081 -2.976409 0.019032
C -4.267162 0.856122 0.668600
C 1.416765 -1.583190 -0.418615
C 4.194857 1.396817 0.854666
C 4.665756 1.569706 -1.519162
C 5.111650 1.535252 -0.192538
C 2.241287 -3.873458 -0.891764
C 1.323822 -3.411775 1.311841
C -5.350233 1.303551 1.450162
C -4.269026 0.930133 -0.726702
C 2.487470 -5.192929 -0.508068
C 1.576518 -4.733917 1.688415
C -6.457593 1.835378 0.796142
C -5.398202 1.470993 -1.354350
C 2.157210 -5.625128 0.781519
C -6.487852 1.917307 -0.604380
H -2.391464 -0.925539 -0.010640
H -1.645414 -0.829047 1.634632
H 2.112990 1.183524 1.399211
H 2.944096 1.513013 -2.831077
H 2.123194 -1.208645 -1.174473
H 4.543784 1.380107 1.887001
H 5.381403 1.687558 -2.332345
H 6.176880 1.621545 0.024917
H 2.498059 -3.545296 -1.897579
H 0.867995 -2.718942 2.019484
H -5.299365 1.233773 2.533574
H -3.420612 0.608527 -1.320772
H 2.937803 -5.888135 -1.215406
H 1.318287 -5.069233 2.692181
H -7.307739 2.191949 1.377559
H -5.418448 1.545035 -2.441798
H 2.352293 -6.654716 1.077158
H -7.358647 2.335132 -1.102689


%chk=000287912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287912

0 1
O -2.288309 0.743104 1.625276
O 2.166669 -0.339604 -2.239953
O -0.485762 1.750435 -0.251435
N 0.747617 -0.244827 -0.362284
N 0.617425 -1.617008 -0.044421
C 2.416709 1.594283 -0.813287
C 1.785005 0.314160 -1.230572
C -1.317764 -0.171805 1.052392
C -0.346751 0.559249 0.102842
C 2.464957 2.014346 0.542199
C 3.066755 2.365186 -1.813668
C 1.302689 -3.929605 -0.120477
C -3.430768 1.086790 0.869952
C 1.438042 -2.522676 -0.532238
C 3.148867 3.196319 0.888438
C 3.736120 3.554165 -1.465738
C 3.778489 3.972408 -0.113817
C 2.192332 -4.884972 -0.685565
C 0.319916 -4.367558 0.812919
C -4.377005 1.882678 1.558721
C -3.669800 0.678425 -0.463619
C 2.104043 -6.247277 -0.328369
C 0.233917 -5.727097 1.166626
C -5.568327 2.266185 0.911562
C -4.872186 1.068971 -1.098120
C 1.124884 -6.672825 0.598395
C -5.826265 1.859213 -0.420474
H -1.799591 -1.022479 0.534639
H -0.755872 -0.584073 1.905701
H 1.985058 1.413437 1.321717
H 3.031876 2.017754 -2.851283
H 2.227358 -2.292074 -1.262032
H 3.189191 3.515577 1.935057
H 4.223605 4.154194 -2.241305
H 4.300581 4.896563 0.157936
H 2.950581 -4.555269 -1.406629
H -0.363315 -3.630458 1.246635
H -4.159529 2.185388 2.587551
H -2.936298 0.091655 -1.024554
H 2.794312 -6.973626 -0.770706
H -0.525183 -6.056969 1.884499
H -6.297302 2.883376 1.448579
H -5.053375 0.757337 -2.133020
H 1.054001 -7.730009 0.876978
H -6.752495 2.159118 -0.921652


