%chk=000095662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095662

0 1
 O   5.5000000E-02  -2.636900     -0.3753000    
 O    3.410800       2.160600      0.5948000    
 O    5.532300      0.4239000      0.1407000    
 N   -3.329300     -0.2033000      0.3161000    
 C   -3.324700      0.8768000     -0.6805000    
 C   -4.626800     -0.8926000      0.3465000    
 C   -4.415800       1.906500     -0.3831000    
 C   -5.760500      7.9300001E-02  0.6777000    
 C   -5.789300       1.250500     -0.2976000    
 C   -2.251100      -1.153900      4.5000002E-02
 C  -0.8839000     -0.4767000      0.1383000    
 C   0.2557000      -1.452500     -0.1158000    
 C    1.659500     -0.9498000     -4.5600001E-02
 C    1.870100      0.3788000      0.2449000    
 C    2.688300      -1.834100     -0.2757000    
 C    3.181900      0.8487000      0.3089000    
 C    4.000000      -1.364300     -0.2117000    
 C    4.246900     -2.2900000E-02  8.0600001E-02
 C    3.480800       3.062000     -0.5083000    
 H   -3.457500      0.4783000      -1.694900    
 H   -2.390200       1.443600     -0.6658000    
 H   -4.614700      -1.675100       1.115000    
 H   -4.831600      -1.382600     -0.6146000    
 H   -4.423000       2.675600      -1.163900    
 H   -4.194500       2.414600      0.5643000    
 H   -5.633000      0.4579000       1.699900    
 H   -6.720500     -0.4484000      0.6499000    
 H   -6.538300       1.984900      1.7899999E-02
 H   -6.086300      0.8924000      -1.291000    
 H   -2.374300      -1.621800     -0.9411000    
 H   -2.284200      -1.964500      0.7848000    
 H  -0.7787000      0.2951000     -0.6290000    
 H  -0.7644000     -4.1499998E-02   1.136900    
 H    1.069600       1.086500      0.4289000    
 H    2.518100      -2.881400     -0.5050000    
 H    4.820400      -2.053900     -0.3917000    
 H    6.134300     -0.3172000     -4.4900000E-02
 H    2.531200       3.076000      -1.052600    
 H    4.296600       2.783600      -1.182900    
 H    3.675700       4.065100     -0.1192000    


%chk=000095662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095662

0 1
O -0.011043 -2.663150 -0.356356
O 3.355682 2.344186 0.372062
O 5.587812 0.510275 0.235248
N -3.454208 -0.201200 0.126670
C -3.704126 0.859833 -0.882865
C -4.702388 -0.952663 0.424423
C -4.773567 1.858455 -0.392312
C -5.798670 -0.015097 0.967313
C -6.087545 1.126661 -0.034507
C -2.345279 -1.111920 -0.253946
C -0.970776 -0.430924 -0.129506
C 0.195023 -1.418370 -0.217842
C 1.594985 -0.887312 -0.124771
C 1.880257 0.493395 0.036717
C 2.676842 -1.804847 -0.202196
C 3.203794 0.970533 0.133751
C 4.000054 -1.346673 -0.103393
C 4.276562 0.030848 0.079607
C 4.384953 3.085318 -0.388978
H -4.038104 0.409801 -1.857357
H -2.758657 1.397612 -1.079631
H -4.465706 -1.732576 1.171965
H -5.088858 -1.475031 -0.491868
H -4.950826 2.621250 -1.175229
H -4.385492 2.379954 0.503974
H -5.453800 0.414100 1.927952
H -6.716869 -0.599859 1.169393
H -6.825656 1.836340 0.385100
H -6.534676 0.701438 -0.957260
H -2.469805 -1.523076 -1.286840
H -2.362188 -1.981846 0.426586
H -0.832573 0.347668 -0.905837
H -0.928463 0.099578 0.843705
H 1.083464 1.240135 0.100473
H 2.449006 -2.866869 -0.333438
H 4.834463 -2.059667 -0.150848
H 6.235055 -0.238336 0.222720
H 4.220183 2.966593 -1.477244
H 5.398167 2.745572 -0.123264
H 4.237572 4.137174 -0.101274


