%chk=000027706.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027706

0 1
 O   -3.177000      -1.187300     -0.5205000    
 O   -1.508100       2.227300      0.9234000    
 N    3.025300     -0.1396000      0.4243000    
 C    2.953700     -6.9899999E-02  -1.042000    
 C    4.419600     -0.1874000      0.8864000    
 C    3.684300       1.164800      -1.572200    
 C    5.198100       1.043400      0.4191000    
 C    5.131900       1.199500      -1.095900    
 C    2.282700      -1.298800      0.9183000    
 C   0.8398000      -1.251200      0.5425000    
 C   0.1199000     -6.4999998E-02  0.6905000    
 C   0.2126000      -2.393300      4.4399999E-02
 C   -1.231800     -2.8999999E-02  0.3367000    
 C   -1.857500      -1.166200     -0.1601000    
 C   -1.136600      -2.352100     -0.3072000    
 C   -2.016200       1.205000      0.4801000    
 C   -3.447400       1.145300      6.3699998E-02
 C   -3.929100     -2.7300000E-02 -0.3969000    
 C   -4.210800       2.431800      0.1822000    
 C   -5.353600     -0.2501000     -0.8169000    
 H    1.923200      2.4000001E-03  -1.404700    
 H    3.389400     -0.9713000      -1.494200    
 H    4.920300      -1.096300      0.5275000    
 H    4.447100     -0.2117000       1.982500    
 H    3.166000       2.071700      -1.235200    
 H    3.657200       1.169400      -2.667800    
 H    6.243800      0.9628000      0.7370000    
 H    4.786700       1.941500      0.8973000    
 H    5.693900      0.3869000      -1.572500    
 H    5.605400       2.139900      -1.398500    
 H    2.331700      -1.332600       2.014800    
 H    2.743500      -2.227300      0.5545000    
 H   0.6017000      0.8230000       1.091400    
 H   0.7618000      -3.323400     -7.4400000E-02
 H   -1.618300      -3.246000     -0.6941000    
 H   -4.399400       2.663200       1.235500    
 H   -5.170700       2.412500     -0.3394000    
 H   -3.639900       3.258100     -0.2557000    
 H   -5.688600      -1.244600     -0.5012000    
 H   -5.437100     -0.1940000      -1.906700    
 H   -6.050200      0.4650000     -0.3726000    


%chk=000027706-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027706

0 1
O -3.345080 -1.226634 -0.293969
O -1.335883 2.345542 0.507068
N 3.079389 -0.274580 0.246069
C 3.186815 -0.102974 -1.225431
C 4.402532 -0.185299 0.912304
C 3.825288 1.255586 -1.578247
C 5.074750 1.171817 0.623197
C 5.205249 1.405209 -0.899275
C 2.328496 -1.488266 0.624573
C 0.830198 -1.382898 0.345455
C 0.163032 -0.145740 0.414755
C 0.074772 -2.555892 0.054853
C -1.236757 -0.052979 0.202541
C -1.955317 -1.243003 -0.075209
C -1.314675 -2.497527 -0.151678
C -1.948549 1.250617 0.265152
C -3.411129 1.199374 0.028639
C -4.036526 -0.003275 -0.234469
C -4.174880 2.507704 0.086477
C -5.498637 -0.227568 -0.496692
H 2.173332 -0.170937 -1.660282
H 3.799622 -0.929610 -1.676589
H 5.086225 -1.009355 0.572192
H 4.252029 -0.310420 2.001601
H 3.151731 2.063843 -1.234348
H 3.918761 1.342035 -2.677907
H 6.068249 1.200388 1.110967
H 4.457131 1.975478 1.068459
H 5.908540 0.660078 -1.326669
H 5.631782 2.405672 -1.102093
H 2.475410 -1.641066 1.713519
H 2.726652 -2.410192 0.124518
H 0.725416 0.769408 0.625420
H 0.587597 -3.523306 -0.012151
H -1.904752 -3.390920 -0.375552
H -4.937744 2.508847 0.886800
H -4.683152 2.736475 -0.868238
H -3.454586 3.315502 0.296747
H -5.917313 -0.942518 0.235114
H -5.649571 -0.664302 -1.501178
H -6.061148 0.714786 -0.433043


