%chk=000210709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210709

0 1
O -0.014700 -0.539009 -2.132798
O 2.841742 2.907077 1.818443
O -4.978293 -1.222456 -1.348903
O 2.102605 4.763959 0.537318
O -5.539146 -0.446229 0.822952
N 2.993554 -2.422224 0.104649
C 0.695323 -1.535848 -0.121140
C -0.088504 -0.321526 -0.708918
C 2.085884 -1.643484 -0.797273
C 0.509702 1.054349 -0.393850
C -1.548115 -0.329931 -0.252433
C -0.085091 -2.838277 -0.306072
C 3.948401 -3.281054 -0.671214
C 3.722392 -1.515500 1.053680
C 1.456810 1.212522 0.648431
C -2.535894 -0.819696 -1.145500
C 0.074660 2.154581 -1.138079
C -1.880906 0.117958 1.026102
C 1.917750 2.489472 0.869213
C -3.830473 -0.808525 -0.683167
C 0.552110 3.465469 -0.912567
C -3.213984 0.122205 1.498665
C 1.474203 3.605531 0.099631
C -4.168264 -0.342564 0.622658
C 3.209172 -4.483595 -1.260527
C 4.194624 -2.308697 2.272841
C 2.983256 4.355340 1.635642
C -6.086783 -1.009857 -0.414260
H 0.824025 -1.360683 0.976649
H 1.965464 -2.161145 -1.775548
H 2.480202 -0.637890 -1.053130
H 0.534057 -3.692978 0.001767
H -0.367770 -2.989588 -1.354982
H -1.000477 -2.858469 0.293925
H 4.734908 -3.645381 0.027617
H 4.472801 -2.721873 -1.475910
H 3.015882 -0.716653 1.391816
H 4.580388 -0.992117 0.579602
H -0.414029 0.204321 -2.630904
H 1.820677 0.364014 1.239268
H -2.266324 -1.201486 -2.129463
H -0.669600 2.012572 -1.924124
H -1.099596 0.483442 1.694802
H 0.204612 4.308093 -1.503478
H -3.462369 0.473725 2.495603
H 2.677669 -5.037378 -0.475176
H 2.456188 -4.179094 -1.997652
H 3.904004 -5.171786 -1.750778
H 3.368604 -2.892434 2.702046
H 4.984956 -3.022942 2.015595
H 4.580831 -1.643331 3.050961
H 4.018525 4.556417 1.330533
H 2.629898 4.846399 2.551820
H -6.519185 -1.990334 -0.175481
H -6.760573 -0.263610 -0.854801


%chk=000210709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210709

0 1
O -0.179534 -0.548102 -2.182523
O 2.497280 3.243667 1.898608
O -5.127678 -0.941692 -1.317489
O 2.004428 4.961690 0.293702
O -5.606806 -0.407249 0.972773
N 3.012551 -2.504068 0.100472
C 0.696292 -1.485428 -0.058903
C -0.113151 -0.304492 -0.716941
C 2.118514 -1.607565 -0.678553
C 0.500302 1.099642 -0.478149
C -1.577470 -0.309142 -0.228762
C -0.048191 -2.831962 -0.184012
C 4.023377 -3.188729 -0.752247
C 3.619054 -1.824901 1.277729
C 1.278011 1.404893 0.678546
C -2.626596 -0.654964 -1.126019
C 0.210790 2.127106 -1.414884
C -1.868064 0.013812 1.120548
C 1.733965 2.714977 0.824309
C -3.923558 -0.666325 -0.612499
C 0.679349 3.457802 -1.252159
C -3.194937 -0.002832 1.627559
C 1.446883 3.723562 -0.116724
C -4.207738 -0.352805 0.731933
C 3.434441 -4.357552 -1.564738
C 4.051250 -2.803589 2.386142
C 2.812539 4.642564 1.500953
C -6.184891 -0.975800 -0.274568
H 0.799775 -1.260574 1.021603
H 2.007303 -2.042605 -1.689688
H 2.575365 -0.594116 -0.804511
H 0.629181 -3.641762 0.138015
H -0.348679 -3.011860 -1.232465
H -0.956509 -2.859264 0.441341
H 4.809739 -3.588836 -0.087109
H 4.531049 -2.464979 -1.440134
H 2.860186 -1.140563 1.699986
H 4.485016 -1.180538 0.977238
H 0.716752 -0.357243 -2.558824
H 1.521668 0.654960 1.434455
H -2.405760 -0.894508 -2.166768
H -0.410288 1.882223 -2.281509
H -1.057324 0.302185 1.797319
H 0.442495 4.241055 -1.976580
H -3.415022 0.254919 2.666470
H 2.989166 -5.105026 -0.885308
H 2.645161 -4.023678 -2.262457
H 4.224924 -4.847960 -2.163346
H 3.188592 -3.409953 2.712862
H 4.843683 -3.494872 2.046740
H 4.445810 -2.247632 3.257062
H 3.886291 4.710347 1.244263
H 2.520810 5.321512 2.317550
H -6.475465 -2.027633 -0.088765
H -7.028530 -0.346314 -0.597446


