%chk=000146297.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146297

0 1
 O   -2.210900     -0.8118000       1.097700    
 O   -1.407400       2.245600     -0.5929000    
 O   -3.705000       1.766100      0.7939000    
 O   -3.726900      -2.919000      3.4499999E-02
 N   3.3000000E-03 -0.4351000      0.3405000    
 N    1.380800      -2.017800     -0.5289000    
 N    1.610600       1.319000      0.8147000    
 N    3.957300      0.5510000      0.1631000    
 N    4.264900      -1.673200     -0.8024000    
 C   -1.850500      0.9072000     -0.4918000    
 C   -1.248000      0.1814000      0.7008000    
 C   -3.334100      0.8154000     -0.2040000    
 C   -3.455000     -0.5745000      0.4042000    
 C   -3.636700      -1.673200     -0.6344000    
 C    1.246000      0.1624000      0.3986000    
 C   0.1543000      -1.682000     -0.2129000    
 C    2.138400     -0.9034000     -0.1722000    
 C    3.461100     -0.6878000     -0.2765000    
 C   -2.073700       2.945900      -1.638500    
 C    3.059800       1.583500      0.7082000    
 C    5.371700      0.9004000      9.7999997E-02
 H   -1.613700      0.3755000      -1.423400    
 H   -1.096500      0.8551000       1.552600    
 H   -3.977000      0.9718000      -1.074400    
 H   -4.251400     -0.6341000       1.154700    
 H   -2.794000      -1.725600      -1.329500    
 H   -4.558000      -1.516600      -1.204200    
 H  -0.7351000      -2.310400     -0.3512000    
 H   -3.223000       1.569000       1.614200    
 H    3.173300       2.487800      9.7800002E-02
 H    3.410200       1.839600       1.715500    
 H   -3.106400       3.180900      -1.367800    
 H   -2.040900       2.381400      -2.575900    
 H   -1.549100       3.893400      -1.792500    
 H   -3.849100      -3.602000     -0.6467000    
 H    5.722100      0.8844000     -0.9394000    
 H    5.967900      0.1946000      0.6858000    
 H    5.559600       1.903500      0.4961000    
 H    5.260800      -1.517600     -0.8854000    
 H    3.858800      -2.549700      -1.106000    


%chk=000146297-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146297

0 1
O -1.789735 -0.853787 0.861101
O -1.951283 2.359493 -0.833608
O -3.756131 1.699383 1.059018
O -3.293057 -3.151571 0.619021
N 0.092738 -0.086519 -0.397552
N 1.527918 -1.228105 -1.789410
N 1.733052 1.176081 0.953390
N 4.065360 0.335358 0.453828
N 4.424274 -1.476336 -1.090881
C -2.203737 0.927527 -0.691082
C -1.125660 0.328649 0.247324
C -3.538379 0.650880 0.064598
C -3.281259 -0.691585 0.774961
C -3.808692 -1.923430 0.021447
C 1.392552 0.346893 -0.024406
C 0.252983 -1.020760 -1.458098
C 2.263882 -0.383148 -0.918398
C 3.619976 -0.492089 -0.559530
C -2.532868 2.945079 -2.052742
C 3.168910 1.503344 0.838880
C 5.329520 0.106654 1.163046
H -2.190611 0.419992 -1.676547
H -0.844146 1.059557 1.028785
H -4.409542 0.597863 -0.619810
H -3.673237 -0.656399 1.805854
H -3.527945 -1.859611 -1.055549
H -4.908287 -1.983346 0.097803
H -0.596402 -1.527694 -1.911510
H -3.213952 2.486040 0.766780
H 3.315568 2.300422 0.070302
H 3.542006 1.875227 1.808780
H -3.638253 2.864409 -2.060990
H -2.117565 2.454830 -2.954585
H -2.240231 4.005728 -2.040718
H -2.323928 -3.002404 0.785421
H 6.191488 0.611475 0.678592
H 5.549618 -0.974241 1.244933
H 5.239077 0.506360 2.187438
H 5.438292 -1.449108 -1.033149
H 3.976187 -2.120009 -1.742737


