%chk=000156486.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156486

0 1
 O    1.674600      -2.455700     -0.5926000    
 N   -3.317000       1.417100      0.1205000    
 N    1.351900     -0.2148000      2.3600001E-02
 C   -3.721300      0.2024000     -0.5865000    
 C   -2.761500     -0.9324000     -0.3460000    
 C   -3.264600       1.176100       1.562000    
 C   -4.236000       2.513900     -0.1813000    
 C   -1.395200     -0.6991000     -0.4169000    
 C  -0.5063000      -1.750800     -0.1948000    
 C   -3.256700      -2.196400     -5.7500001E-02
 C   -2.847700       2.420800       2.317900    
 C   -4.262200       2.824000      -1.663800    
 C    2.668700      0.3074000      1.1300000E-02
 C  -0.9927000      -3.025400      9.6000001E-02
 C   -2.367900      -3.248200      0.1647000    
 C   0.9276000      -1.519000     -0.2664000    
 C    3.431000      0.2573000       1.168100    
 C    3.170400      0.8596000      -1.157000    
 C    4.727300      0.7721000       1.156300    
 C    4.466800       1.374400      -1.168900    
 C    2.904300     -0.3346000       2.435300    
 C    2.361400      0.9208000      -2.412000    
 C    5.245200       1.330600     -1.2100000E-02
 H   -3.720300      0.3456000      -1.672900    
 H   -4.740800     -8.9699998E-02 -0.3002000    
 H   -4.232100      0.8283000       1.947400    
 H   -2.527200      0.4068000       1.814000    
 H   -5.253700       2.305600      0.1726000    
 H   -3.905100       3.440500      0.2986000    
 H   -1.037600      0.2895000     -0.6913000    
 H   -4.325400      -2.383100     -1.9000000E-03
 H   -1.962500       2.889800       1.874400    
 H   -3.650200       3.161800       2.385400    
 H   -2.589100       2.153100       3.349000    
 H   -3.252200       2.908500      -2.079900    
 H   -4.821800       2.079600      -2.238400    
 H   -4.763500       3.784400      -1.830000    
 H  -0.3175000      -3.857600      0.2776000    
 H   -2.746700      -4.240400      0.3923000    
 H   0.6868000      0.4044000      0.4814000    
 H    5.348000      0.7457000       2.048100    
 H    4.886600       1.812300      -2.070600    
 H    1.976000      0.1625000       2.736100    
 H    3.612800     -0.2223000       3.263300    
 H    2.716300      -1.405700       2.307100    
 H    2.162500     -8.8500001E-02  -2.787000    
 H    1.410600       1.434100      -2.233100    
 H    2.879600       1.470800      -3.205100    
 H    6.254700       1.731100     -2.1500001E-02


%chk=000156486-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156486

0 1
O 1.719382 -2.312114 -1.033735
N -3.500262 1.324173 0.453697
N 1.297459 -0.173526 -0.169796
C -3.970253 0.134396 -0.299782
C -2.935477 -0.987410 -0.352098
C -3.452180 1.068194 1.921162
C -4.255552 2.557342 0.100512
C -1.558009 -0.679334 -0.447886
C -0.584549 -1.705348 -0.537932
C -3.334879 -2.345841 -0.355609
C -2.481789 2.003502 2.666776
C -3.855465 3.141728 -1.267805
C 2.638803 0.337243 -0.125569
C -1.002295 -3.060829 -0.563723
C -2.372346 -3.376522 -0.471777
C 0.899711 -1.437538 -0.616783
C 3.094723 0.874164 1.117574
C 3.459224 0.363656 -1.291979
C 4.396731 1.419358 1.186381
C 4.765017 0.903291 -1.170654
C 2.203984 0.846175 2.348460
C 2.965124 -0.126756 -2.636025
C 5.236987 1.424919 0.051338
H -4.191099 0.459444 -1.334720
H -4.930311 -0.270952 0.110027
H -4.471995 1.137133 2.378174
H -3.113925 0.025234 2.062777
H -5.360570 2.377893 0.128573
H -4.043299 3.313230 0.877409
H -1.291550 0.384505 -0.465858
H -4.399644 -2.598087 -0.272474
H -1.461498 1.900946 2.254469
H -2.774808 3.065649 2.584151
H -2.453264 1.748376 3.742326
H -2.775212 3.368493 -1.284235
H -4.069873 2.446363 -2.099541
H -4.414755 4.075144 -1.465309
H -0.237091 -3.838353 -0.655398
H -2.692852 -4.424100 -0.481084
H 0.594992 0.364382 0.343192
H 4.755488 1.827613 2.138468
H 5.408244 0.924863 -2.058202
H 1.317653 1.506779 2.244098
H 2.757039 1.191166 3.237898
H 1.827995 -0.173723 2.552966
H 2.933666 -1.231310 -2.659064
H 1.934044 0.220002 -2.836640
H 3.618411 0.232894 -3.449177
H 6.248422 1.840697 0.117732


