%chk=000196490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196490

0 1
O 0.169526 0.062599 1.930371
O 3.133960 -0.558310 -0.624071
O -1.570890 0.419028 3.307569
O 4.124840 4.088548 -0.732631
O 2.629798 -5.193789 -0.414601
N -4.925621 0.836828 -1.240174
N -5.912279 1.051454 -0.494384
N -6.923409 1.256332 -0.022906
C 0.449887 -0.043838 0.458230
C -0.926602 0.173760 -0.160265
C 1.426392 1.042481 0.131697
C 0.993239 -1.420726 0.231145
C -1.876069 0.381102 0.858451
C 2.699518 0.738511 -0.371744
C 2.289873 -1.608506 -0.279849
C -1.179614 0.309256 2.180216
C -1.304532 0.188927 -1.496843
C 1.115082 2.401075 0.352333
C 0.244893 -2.567179 0.555184
C -3.213825 0.607069 0.584281
C 3.653304 1.713539 -0.691443
C 2.847883 -2.869036 -0.508928
C -2.650453 0.414783 -1.807185
C 2.024932 3.404221 0.055138
C 0.756708 -3.844047 0.350152
C -3.593522 0.621367 -0.777216
C 3.288098 3.044687 -0.464806
C 2.056227 -3.976405 -0.181242
H -0.571681 0.029571 -2.289108
H 0.136967 2.658199 0.768212
H -0.756189 -2.444933 0.977855
H -3.925288 0.764798 1.393138
H 4.622689 1.423278 -1.082880
H 3.852394 -2.986859 -0.910644
H -2.980373 0.433398 -2.849576
H 1.796364 4.455617 0.220346
H 0.168986 -4.720056 0.604455
H 5.005804 3.791572 -1.081462
H 2.039680 -5.947315 -0.151916


%chk=000196490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196490

0 1
O 0.209438 0.071844 1.930682
O 3.311863 -0.569149 -0.190504
O -1.613881 0.436404 3.349398
O 4.234770 4.153670 -0.724770
O 2.707936 -5.291880 -0.300089
N -5.044606 0.853030 -1.072645
N -5.952751 1.043046 -0.208705
N -6.934603 1.235191 0.426752
C 0.453815 -0.040301 0.375423
C -0.956692 0.181677 -0.163731
C 1.442745 1.044193 0.012068
C 1.009664 -1.425703 0.126967
C -1.870647 0.381313 0.887684
C 2.809957 0.744958 -0.198703
C 2.396065 -1.632540 -0.090239
C -1.156961 0.313372 2.197420
C -1.401437 0.206913 -1.500002
C 1.061230 2.411571 -0.043619
C 0.185181 -2.576584 0.192394
C -3.239978 0.609108 0.668343
C 3.771313 1.746005 -0.448226
C 2.954172 -2.916173 -0.232343
C -2.769579 0.433707 -1.751514
C 1.990329 3.430864 -0.290758
C 0.709351 -3.871738 0.054174
C -3.685383 0.633486 -0.678401
C 3.354075 3.091359 -0.487701
C 2.105618 -4.035564 -0.154737
H -0.704432 0.055778 -2.329961
H 0.011738 2.676017 0.122852
H -0.888297 -2.450157 0.367306
H -3.917150 0.760928 1.516419
H 4.813896 1.449743 -0.606303
H 4.026127 -3.039767 -0.399318
H -3.157830 0.462270 -2.773948
H 1.695656 4.482610 -0.325840
H 0.048716 -4.744849 0.115598
H 5.165331 3.834770 -0.830678
H 2.041940 -6.018422 -0.215847


