%chk=000197708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197708

0 1
O -2.043652 -1.185617 -0.856897
O -3.863719 -0.450057 1.469813
O 0.088034 2.952336 0.370969
O 3.008503 -2.338363 -0.256997
O 4.914969 -1.045106 0.313608
N 0.256450 -1.203867 -0.472134
C -3.152796 -0.196138 -0.854595
C -4.242598 -0.748996 0.113246
C -2.553951 1.166856 -0.428457
C -1.095980 0.884657 -0.265678
C -0.884401 -0.528847 -0.526459
C 0.006222 1.622373 0.072566
C -4.405107 -2.255810 -0.057359
C -5.551739 0.015810 -0.071738
C 1.313241 0.979534 0.147333
C 1.372945 -0.432472 -0.132911
C 2.653402 -1.009364 -0.043215
C 2.475819 1.715311 0.485446
C 3.784706 -0.246321 0.294928
C 3.729450 1.123809 0.566208
C 4.453254 -2.397886 -0.038028
C -1.128228 3.742527 0.391546
H -3.503395 -0.207521 -1.905474
H -3.008735 1.506320 0.528125
H -2.752870 1.940338 -1.190084
H -4.893398 -2.516335 -1.001941
H -3.432151 -2.773295 -0.051038
H -5.006047 -2.678827 0.757093
H -6.290120 -0.316687 0.673179
H -5.985876 -0.138391 -1.063528
H -5.418670 1.091676 0.091447
H -3.052893 -0.943434 1.719354
H 2.367459 2.785624 0.687546
H 4.624751 1.681854 0.824482
H 4.932220 -2.677733 -0.985252
H 4.642377 -3.049355 0.824926
H -1.820017 3.352563 1.143747
H -1.573302 3.773918 -0.606285
H -0.742858 4.729015 0.683908


%chk=000197708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197708

0 1
O -2.003511 -1.294099 -0.408513
O -4.040907 -0.959052 1.568403
O 0.089947 3.031066 0.312777
O 3.102912 -2.330632 -0.096698
O 5.067933 -0.977376 0.214178
N 0.346101 -1.220998 -0.209245
C -3.112695 -0.295643 -0.608174
C -4.359524 -0.851825 0.126878
C -2.562905 1.055823 -0.068558
C -1.054396 0.840543 -0.084602
C -0.806751 -0.573779 -0.234623
C 0.066549 1.651147 0.111042
C -4.745006 -2.237909 -0.435013
C -5.531645 0.139145 0.042347
C 1.387279 1.040257 0.139051
C 1.459135 -0.407623 -0.017972
C 2.759047 -0.964484 0.029721
C 2.569833 1.818942 0.320055
C 3.899904 -0.175206 0.210459
C 3.843845 1.223542 0.358508
C 4.583309 -2.376304 0.036838
C -1.131300 3.828638 0.146147
H -3.299248 -0.248888 -1.698949
H -2.927935 1.205177 0.966297
H -2.915617 1.890897 -0.693163
H -5.071044 -2.166321 -1.489198
H -3.887353 -2.931351 -0.391138
H -5.575127 -2.655522 0.160022
H -6.397144 -0.275582 0.586031
H -5.827389 0.315328 -1.007514
H -5.271035 1.103671 0.510269
H -3.272350 -1.583748 1.653317
H 2.467480 2.900545 0.432246
H 4.753270 1.812757 0.496517
H 5.016168 -2.790361 -0.890039
H 4.846299 -2.962764 0.934552
H -1.914032 3.526422 0.863353
H -1.510382 3.756821 -0.889400
H -0.820414 4.862846 0.355189


