%chk=000192275.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192275

0 1
O 0.544720 -3.494149 -0.289029
O -1.933540 -3.115711 -1.058745
O -0.568854 -0.928535 2.387486
O -2.741549 -0.492160 2.695502
N 0.989949 -2.276276 -2.764072
C -1.627768 0.165387 0.575688
C -2.380550 1.507095 0.520220
C -2.181728 -0.835953 -0.442808
C -2.113804 2.281433 -0.789338
C 0.109301 -2.139753 -0.390595
C 0.895777 -1.435639 -1.544664
C -1.399197 -2.106276 -0.647475
C 2.321889 -1.084795 -1.067076
C -3.132987 3.417441 -0.935775
C -0.684886 2.830002 -0.829650
C -1.783275 -0.418039 1.970024
C 2.363118 0.229133 -0.339019
C 2.793182 1.387086 -1.006273
C 1.981927 0.312229 1.008974
C 2.850136 2.608047 -0.329103
C 2.037756 1.535658 1.681220
C 2.473092 2.685834 1.015432
H -0.536031 0.360071 0.378298
H -3.468932 1.332814 0.644547
H -2.088322 2.135595 1.385788
H -2.276981 -0.325291 -1.434584
H -3.236040 -1.102724 -0.185651
H -2.248103 1.577800 -1.651731
H 0.373311 -1.706423 0.611363
H 0.359447 -0.490676 -1.826828
H 2.722455 -1.902391 -0.429532
H 3.001887 -1.057319 -1.948917
H -3.071027 4.130199 -0.105568
H -2.963615 3.984124 -1.858716
H -4.160874 3.040668 -0.969220
H 0.066096 2.038120 -0.710721
H -0.477370 3.332732 -1.780750
H -0.504410 3.560853 -0.033065
H 1.528865 -3.121507 -2.578100
H 0.069863 -2.574367 -3.078277
H -0.095429 -4.105502 -0.744160
H 3.088361 1.333752 -2.053235
H 1.639092 -0.580807 1.538060
H -0.610384 -1.350156 3.288013
H 3.192183 3.500896 -0.850505
H 1.745315 1.590532 2.728857
H 2.522933 3.636150 1.542309


%chk=000192275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192275

0 1
O 1.020448 -3.059007 0.115540
O -1.614409 -3.158024 -0.127429
O -1.314005 -0.986294 2.537450
O -3.486537 -0.167123 2.542952
N 0.731046 -2.258497 -2.696440
C -1.975027 0.336123 0.631614
C -2.890152 1.539336 0.289603
C -2.058666 -0.786553 -0.461139
C -2.538294 2.307932 -1.011138
C 0.369249 -1.797031 -0.211252
C 0.933220 -1.298714 -1.603783
C -1.145777 -1.984991 -0.239132
C 2.459113 -1.010004 -1.466116
C -3.574605 3.436051 -1.234923
C -1.103877 2.889133 -0.986527
C -2.376605 -0.260207 1.978261
C 2.791626 0.094376 -0.476476
C 2.736287 1.458345 -0.868328
C 3.144214 -0.209397 0.865189
C 3.024254 2.491101 0.052640
C 3.435061 0.820248 1.788936
C 3.375048 2.174834 1.386223
H -0.923950 0.666434 0.721356
H -3.937064 1.182370 0.239216
H -2.852956 2.252853 1.137546
H -1.798714 -0.319686 -1.431415
H -3.097301 -1.156195 -0.531630
H -2.617784 1.612466 -1.873785
H 0.623393 -1.053115 0.568128
H 0.423984 -0.350811 -1.869390
H 2.948008 -1.955315 -1.166125
H 2.813649 -0.751008 -2.480069
H -3.533408 4.173072 -0.409923
H -3.377781 3.975729 -2.179419
H -4.604328 3.035110 -1.278366
H -0.323580 2.108222 -0.923712
H -0.907331 3.479697 -1.900493
H -0.971637 3.561234 -0.116608
H 1.169322 -3.165703 -2.499580
H -0.239646 -2.366424 -3.009721
H 0.288704 -3.737720 0.191679
H 2.481621 1.708972 -1.906363
H 3.189506 -1.259832 1.178473
H -1.608167 -1.421052 3.383672
H 2.983832 3.538071 -0.269798
H 3.710239 0.566389 2.818973
H 3.604772 2.973807 2.100226


