%chk=000289933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289933

0 1
O -0.406327 -2.234956 1.116790
O -3.258328 -2.397553 0.278967
O 5.917647 -0.028399 0.623924
O 6.763635 1.960136 -0.125297
N -2.910878 -0.109550 0.112042
N -0.512185 -2.013644 -1.255577
N 0.234804 -1.002520 -1.953310
C -0.490624 0.001293 0.163211
C -0.967902 -1.478103 0.061002
C -1.775087 0.854890 0.058279
C 0.487077 0.170361 -1.028366
C -4.329734 0.336388 0.153567
C -2.522244 -1.444065 0.145918
C -4.605144 1.162183 1.427148
C -4.684854 1.137308 -1.115974
C -6.079358 1.585978 1.464891
C -6.159237 1.560008 -1.069534
C 1.935850 0.142177 -0.590364
C -6.471880 2.363325 0.200691
C 2.805207 1.144712 -1.040894
C 2.422815 -0.879974 0.244724
C 4.151145 1.151079 -0.661143
C 3.758333 -0.896023 0.635863
C 4.602753 0.127037 0.171406
C 6.929004 0.911335 0.437714
C 8.158362 0.347443 1.058225
H 0.019780 0.175213 1.136827
H -1.847230 1.578146 0.898018
H -1.815438 1.438622 -0.885460
H 0.283257 1.124750 -1.574717
H -4.954928 -0.602618 0.182957
H 0.118121 -2.827710 -1.110143
H -3.956687 2.056759 1.461470
H -4.356052 0.566129 2.325611
H -4.491831 0.523593 -2.016401
H -4.041852 2.031559 -1.207101
H -0.363434 -0.696365 -2.743197
H -6.266842 2.204821 2.362617
H -6.725046 0.692214 1.572417
H -6.809196 0.664155 -1.117551
H -6.403997 2.160029 -1.966206
H -7.549211 2.612648 0.232105
H -5.935128 3.330896 0.173914
H -0.978029 -3.016183 1.336482
H 2.442289 1.933567 -1.699778
H 1.749044 -1.669371 0.593842
H 4.823993 1.937933 -1.010040
H 4.154503 -1.677782 1.280525
H 8.537738 1.015399 1.848519
H 8.958999 0.240856 0.308093
H 7.989825 -0.644826 1.509995


%chk=000289933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289933

0 1
O -0.343189 -2.138148 1.088569
O -3.101401 -2.331084 0.501463
O 6.076062 -0.195073 0.673332
O 7.210158 1.529320 -0.467169
N -2.921960 0.000519 0.097066
N -0.439608 -1.648317 -1.280093
N 0.168322 -0.509257 -1.944523
C -0.517576 0.257619 0.230819
C -0.905053 -1.246565 0.091490
C -1.854703 1.018509 -0.043399
C 0.548460 0.501424 -0.879529
C -4.366265 0.319117 0.127888
C -2.441358 -1.279330 0.239158
C -4.760540 1.107665 1.403842
C -4.818811 1.066313 -1.151439
C -6.286772 1.366780 1.432207
C -6.344922 1.324705 -1.120181
C 2.001093 0.348530 -0.440347
C -6.760192 2.099085 0.153796
C 2.985770 1.190353 -1.011640
C 2.417603 -0.640885 0.490278
C 4.355320 1.075621 -0.687732
C 3.779146 -0.777133 0.824084
C 4.738439 0.076720 0.237439
C 7.217891 0.539925 0.295328
C 8.444149 -0.054062 0.955013
H -0.148644 0.460539 1.247377
H -2.009300 1.843118 0.675302
H -1.865324 1.451537 -1.063877
H 0.427531 1.506557 -1.326253
H -4.871824 -0.666851 0.161903
H 0.245107 -2.413458 -1.185616
H -4.228000 2.081156 1.422569
H -4.445860 0.540034 2.299537
H -4.542953 0.473704 -2.044413
H -4.290208 2.039884 -1.221487
H -0.518390 -0.110468 -2.602258
H -6.550157 1.953915 2.332593
H -6.818446 0.396864 1.515897
H -6.879632 0.353363 -1.148098
H -6.648878 1.882764 -2.026342
H -7.858743 2.232041 0.176441
H -6.314698 3.115319 0.126545
H -1.054572 -2.806874 1.302584
H 2.683357 1.957131 -1.735929
H 1.686298 -1.309689 0.956435
H 5.097823 1.737427 -1.133301
H 4.114139 -1.537860 1.535812
H 8.940666 0.721376 1.563993
H 9.160593 -0.365484 0.174830
H 8.185552 -0.915091 1.586737


