%chk=000063270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063270

0 1
 O   -2.680000       2.153500      0.6362000    
 O   0.9800000      -2.222400       1.152400    
 N   -1.035100      0.6178000     -5.9999999E-02
 N   -1.683000      -1.621300     -0.5368000    
 N    4.870600      -1.267200      -1.296000    
 C  -0.7791000     -0.6926000     -0.4709000    
 C   1.5300000E-02   1.583600      0.1116000    
 C   -3.387500     -8.8000000E-03  0.1469000    
 C   -2.346900       1.036000      0.2486000    
 C   0.6085000      -1.089500     -0.9320000    
 C   -3.006100      -1.299800     -0.2180000    
 C   0.3813000       2.422400     -0.9348000    
 C   0.6577000       1.663400       1.342100    
 C   -4.725100      0.2862000      0.4363000    
 C    1.460400      -1.641600      0.1816000    
 C   -3.982900      -2.299700     -0.2916000    
 C    1.403200       3.353400     -0.7483000    
 C  -0.2964000       2.352400      -2.264800    
 C    1.679500       2.594300       1.528500    
 C   -5.688300     -0.7187000      0.3586000    
 C    2.052300       3.439400      0.4833000    
 C   -5.317800      -2.011400     -4.0000002E-03
 C    2.939600      -1.470800      8.6999997E-02
 C    3.683800      -1.366000       1.233000    
 C    3.536500      -1.420400      -1.140200    
 C    5.060000      -1.207400       1.113500    
 C    5.599600      -1.164600     -0.1620000    
 H   0.5119000      -1.874500      -1.692100    
 H    1.103100     -0.2368000      -1.400400    
 H   0.3756000       1.008700       2.162400    
 H   -5.034400       1.286900      0.7248000    
 H   -3.708700      -3.312300     -0.5782000    
 H    1.706600       4.019400      -1.551800    
 H   0.1335000       3.065500      -2.977000    
 H  -0.1928000       1.356600      -2.706400    
 H   -1.359400       2.594900      -2.166500    
 H    2.185700       2.660200       2.487000    
 H   -6.727000     -0.4939000      0.5823000    
 H    2.848400       4.163700      0.6284000    
 H   -6.067500      -2.794900     -6.4900003E-02
 H    3.233000      -1.397200       2.219900    
 H    2.992400      -1.515900      -2.072900    
 H    5.690200      -1.118600       1.990900    
 H    6.667500      -1.041700     -0.3093000    


%chk=000063270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063270

0 1
O -2.780595 2.275388 0.497348
O 1.147991 -1.146708 1.621722
N -1.051980 0.786727 -0.076545
N -1.468263 -1.536206 -0.574699
N 5.004588 -1.917149 -1.232529
C -0.644550 -0.506687 -0.461008
C -0.092384 1.883157 0.042614
C -3.340077 -0.061672 0.113921
C -2.432220 1.095927 0.205216
C 0.816713 -0.748244 -0.772574
C -2.827672 -1.340578 -0.274210
C 0.056821 2.803260 -1.030925
C 0.641233 2.012609 1.240637
C -4.720439 0.096648 0.404084
C 1.644444 -1.151669 0.461234
C -3.716336 -2.447300 -0.365290
C 1.001650 3.846872 -0.868060
C -0.782878 2.692979 -2.287786
C 1.571938 3.064453 1.380851
C -5.586351 -1.005255 0.313541
C 1.754624 3.980563 0.320519
C -5.079631 -2.279237 -0.072724
C 3.075719 -1.553996 0.245253
C 3.854351 -1.943593 1.368934
C 3.703009 -1.560013 -1.030068
C 5.197819 -2.316057 1.178025
C 5.729480 -2.288331 -0.134837
H 0.854118 -1.576990 -1.502192
H 1.288639 0.137166 -1.238903
H 0.475800 1.292005 2.047428
H -5.077273 1.089392 0.697028
H -3.303986 -3.416215 -0.662125
H 1.137501 4.568529 -1.682104
H -0.436598 3.400269 -3.059707
H -0.759096 1.674777 -2.719162
H -1.840411 2.924090 -2.061002
H 2.141413 3.168924 2.310158
H -6.651277 -0.887691 0.539985
H 2.473974 4.800953 0.420057
H -5.759936 -3.135307 -0.141129
H 3.383557 -1.943684 2.357404
H 3.157221 -1.268293 -1.934225
H 5.826894 -2.622495 2.019217
H 6.770658 -2.571021 -0.326973


