%chk=000212729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212729

1 1
O 4.646647 1.357314 1.387155
N -0.877503 -0.988543 0.051966
N 1.863056 -0.209221 -0.177133
N 3.100968 0.304260 0.277512
N 3.351116 1.039800 1.353375
N 4.427849 -0.744565 -1.555304
C -0.490066 0.205273 -0.760812
C 0.198862 -2.023094 -0.048584
C 0.769640 0.832775 -0.128050
C 1.478833 -1.450656 0.598053
C -2.210586 -1.546961 -0.353524
C -3.293389 -0.508128 -0.181246
C 4.330698 0.082776 -0.469514
C -3.529836 0.058549 1.079760
C -4.080340 -0.128144 -1.277735
C 5.278326 0.774916 0.279930
C -4.549688 0.999891 1.241048
C -5.101760 0.811400 -1.109097
C -5.337032 1.377000 0.148051
H -1.319997 0.954724 -0.710914
H -0.322946 -0.016376 -1.836740
H 0.404277 -2.361581 -1.087590
H -0.113042 -2.924670 0.530718
H 1.084746 1.725231 -0.711114
H 0.534553 1.165672 0.911477
H 1.285397 -1.237833 1.676779
H 2.302021 -2.194990 0.536229
H -2.430582 -2.408363 0.324498
H -2.212107 -1.954479 -1.389053
H -2.917278 -0.238154 1.930683
H -3.912240 -0.567932 -2.258813
H 6.337800 0.957908 0.217670
H -4.737115 1.435913 2.222334
H -5.719805 1.099804 -1.959621
H 5.257107 -0.668471 -2.141063
H 3.573538 -1.014226 -2.042428
H -6.136920 2.106079 0.277300


%chk=000212729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212729

1 1
O 4.656410 1.669211 1.153089
N -0.833416 -0.911229 -0.167256
N 1.890630 -0.078080 -0.198804
N 3.131308 0.404651 0.231760
N 3.254788 1.482911 1.090190
N 4.426752 -1.119811 -1.129561
C -0.435775 0.331156 -0.860912
C 0.242738 -1.915374 -0.224610
C 0.788288 0.949210 -0.169935
C 1.499421 -1.377699 0.479269
C -2.164986 -1.439552 -0.582579
C -3.302790 -0.479165 -0.260694
C 4.365158 -0.092223 -0.242576
C -3.421308 0.088488 1.034339
C -4.282633 -0.177154 -1.237447
C 5.319749 0.719783 0.373513
C -4.501589 0.942783 1.344628
C -5.369129 0.673533 -0.926756
C -5.480323 1.236143 0.364786
H -1.266695 1.055006 -0.802148
H -0.209403 0.156777 -1.942360
H 0.506754 -2.203534 -1.275083
H -0.081128 -2.830188 0.303261
H 1.137834 1.847137 -0.707153
H 0.534818 1.216982 0.874177
H 1.282332 -1.175408 1.547470
H 2.333837 -2.096291 0.401330
H -2.310634 -2.390977 -0.033777
H -2.184121 -1.687361 -1.671417
H -2.663638 -0.144769 1.791577
H -4.203282 -0.612452 -2.241590
H 6.402504 0.790063 0.330451
H -4.588186 1.372337 2.348751
H -6.124009 0.895483 -1.688619
H 5.323799 -1.489025 -1.438406
H 3.581047 -1.402128 -1.628188
H -6.321917 1.893663 0.607481


