%chk=000185645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185645

0 1
O -0.060106 2.906339 -0.873138
O 0.865694 -2.410925 1.471392
O 0.910111 -0.114002 1.524954
N -1.287728 0.972964 -0.606048
N 0.941822 0.935579 -1.549484
N -2.800584 -0.643274 0.087151
N -0.450585 -1.321519 0.011152
C 3.730522 -0.281081 -0.501350
C 3.173114 1.144094 -0.408101
C 4.725517 -0.558448 0.634347
C 2.307112 1.527236 -1.614444
C 5.111493 -2.042186 0.698271
C -2.587762 1.562310 -0.634067
C -0.070859 1.696235 -0.968486
C -3.509738 0.539903 -0.226920
C -1.506176 -0.368678 -0.139346
C 6.179688 -2.305702 1.755679
C -3.021854 2.852247 -0.973046
C -4.888309 0.810044 -0.175747
C -4.386932 3.091588 -0.912625
C -5.306508 2.085936 -0.522486
C 0.471493 -1.148916 1.088650
C 1.976910 -2.483531 2.410099
H 4.227414 -0.436231 -1.478547
H 2.899526 -1.011309 -0.463450
H 4.004448 1.871471 -0.318475
H 2.584619 1.254273 0.531520
H 4.293387 -0.240889 1.603905
H 5.632541 0.061981 0.498004
H 2.216567 2.639348 -1.681805
H 2.765915 1.184604 -2.569492
H 5.471282 -2.385064 -0.291397
H 4.205033 -2.651992 0.921448
H 0.909874 -0.084384 -1.512805
H 6.431831 -3.370855 1.810289
H 5.852743 -1.991974 2.753370
H 7.107323 -1.763863 1.534418
H -2.300689 3.621954 -1.254933
H -5.584586 0.031710 0.131099
H -4.770821 4.079971 -1.167312
H -0.773290 -2.299215 -0.139148
H -6.367503 2.332971 -0.493832
H 2.903366 -2.568363 1.814473
H 2.003758 -1.605205 3.065114
H 1.762026 -3.401150 2.969151


%chk=000185645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185645

0 1
O -0.156004 3.045555 -0.825785
O 0.959220 -2.197278 1.664080
O 0.522936 0.094722 1.993426
N -1.362409 1.057017 -0.462421
N 0.932162 0.995205 -1.097616
N -2.852329 -0.636640 0.011226
N -0.521696 -1.178785 0.281753
C 3.732851 -0.348481 -0.472012
C 3.344967 1.145561 -0.378574
C 4.894107 -0.727670 0.475059
C 2.255255 1.581077 -1.383877
C 5.267551 -2.226620 0.420772
C -2.665788 1.599402 -0.650762
C -0.146177 1.786073 -0.785744
C -3.568995 0.519365 -0.383543
C -1.567622 -0.281533 -0.042991
C 6.426001 -2.594593 1.372901
C -3.117469 2.878568 -1.032279
C -4.963209 0.702160 -0.506524
C -4.514862 3.042790 -1.152476
C -5.424318 1.976658 -0.895084
C 0.328119 -0.978887 1.386478
C 1.894382 -2.167796 2.812106
H 4.022164 -0.588338 -1.517108
H 2.856521 -0.989025 -0.235656
H 4.245720 1.762516 -0.573273
H 3.003062 1.385768 0.646580
H 4.624748 -0.451609 1.516735
H 5.786600 -0.118909 0.220387
H 2.119948 2.675265 -1.360116
H 2.559054 1.300877 -2.413016
H 5.542819 -2.495060 -0.619481
H 4.373510 -2.835458 0.669106
H 0.833028 -0.022357 -1.057013
H 6.674025 -3.670132 1.312546
H 6.165867 -2.366122 2.424072
H 7.340120 -2.023205 1.124522
H -2.416147 3.695581 -1.209234
H -5.649182 -0.124299 -0.299239
H -4.909810 4.021766 -1.445504
H -0.724348 -2.159600 0.064736
H -6.500321 2.154815 -0.996523
H 2.757910 -1.521580 2.582496
H 1.381590 -1.790017 3.711923
H 2.207550 -3.212746 2.942945


