%chk=000212038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212038

0 1
O -3.419624 -0.740545 -0.347841
O -5.309655 -1.951051 -0.722736
N -0.148038 0.575465 -0.070718
N -5.396733 0.203415 0.214867
N 4.145696 -0.924266 0.933024
C -3.046517 0.586424 0.200765
C -2.130205 0.320471 1.395514
C -2.341973 1.338700 -0.929075
C -0.802753 -0.312398 0.946744
C -1.008584 0.666231 -1.297162
C -4.410171 1.231257 0.606706
C 1.224153 0.078855 -0.416811
C -4.794449 -0.939643 -0.322078
C 2.198193 0.527414 0.689662
C 3.613011 0.172724 0.324330
C 4.345671 0.942560 -0.603703
C 5.654764 0.566348 -0.906165
C 5.421852 -1.275629 0.626661
C 6.209695 -0.558748 -0.287163
H -2.627800 -0.352660 2.120658
H -1.925493 1.274350 1.922745
H -2.153376 2.385043 -0.613719
H -2.990115 1.379754 -1.826169
H -0.121892 -0.409855 1.819986
H -0.995609 -1.340222 0.562448
H -1.212770 -0.327366 -1.757492
H -0.481040 1.283807 -2.054677
H -4.465214 1.449514 1.693289
H -4.600019 2.184660 0.070935
H 1.275417 -1.025058 -0.541212
H 1.538682 0.522603 -1.386630
H -6.381639 0.308083 0.395484
H 1.917623 0.055143 1.657422
H 2.100334 1.620491 0.858620
H 3.894175 1.814339 -1.069517
H 6.241476 1.145323 -1.619236
H 5.808799 -2.163510 1.140310
H 7.226426 -0.871823 -0.505864


%chk=000212038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212038

0 1
O -3.412462 -0.917558 -0.117765
O -5.358472 -2.076713 -0.756729
N -0.169992 0.635198 -0.115119
N -5.407376 0.149129 0.069863
N 3.908061 -1.008687 0.577817
C -3.085946 0.505909 0.284490
C -2.095459 0.440809 1.456690
C -2.446664 1.201021 -0.934977
C -0.737349 -0.141221 1.019250
C -1.082136 0.577032 -1.288814
C -4.477740 1.111095 0.668856
C 1.215226 0.219181 -0.448468
C -4.814532 -1.047637 -0.315660
C 2.256716 0.804216 0.544309
C 3.653879 0.299529 0.243936
C 4.636582 1.117354 -0.371627
C 5.913655 0.579624 -0.647662
C 5.144255 -1.515140 0.303400
C 6.177933 -0.765896 -0.304653
H -2.526280 -0.176392 2.266781
H -1.946117 1.468065 1.842986
H -2.298209 2.270030 -0.685917
H -3.133379 1.137357 -1.800318
H -0.035208 -0.102972 1.870153
H -0.872807 -1.216022 0.744233
H -1.241350 -0.471799 -1.640130
H -0.622926 1.145624 -2.118250
H -4.596936 1.172050 1.769547
H -4.599976 2.123807 0.244444
H 1.329570 -0.891305 -0.468594
H 1.448324 0.589963 -1.465069
H -6.419183 0.253409 0.057388
H 1.991134 0.496009 1.571902
H 2.214450 1.906534 0.496764
H 4.399462 2.156690 -0.622875
H 6.686362 1.197187 -1.118399
H 5.303897 -2.561928 0.588647
H 7.153291 -1.223350 -0.498231


