%chk=000003798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003798

0 1
 O   -3.012800       2.366800      0.1455000    
 O   -4.728200      0.2367000     -0.3460000    
 N    1.599500      0.2852000      0.5617000    
 N   -1.061900      -2.798000     -0.1736000    
 N    1.176800      -2.006500      0.2368000    
 C  -0.6739000     -0.4537000      0.1521000    
 C   -1.529500      -1.539700     -9.5200002E-02
 C   0.6753000     -0.7591000      0.3092000    
 C   -1.174000      0.8576000      0.2321000    
 C   -2.534900       1.094700      6.5300003E-02
 C   -2.887000      -1.273600     -0.2580000    
 C   -3.392100      2.7700000E-02 -0.1799000    
 C    2.958100      0.4442000      0.2463000    
 C   0.2656000      -2.963000     -3.8000001E-03
 C    3.789900       1.200100       1.078100    
 C    3.489500     -0.1525000     -0.9011000    
 C    5.140100       1.357500      0.7656000    
 C    4.839800      4.9999999E-03  -1.213700    
 C    5.665000      0.7601000     -0.3803000    
 C   -3.063800       3.118500      -1.066000    
 C   -5.541400      0.1918000      0.8247000    
 H  -0.5242000       1.709300      0.4159000    
 H   -3.573200      -2.096700     -0.4516000    
 H    1.272400      0.9395000       1.267200    
 H   0.6360000      -3.978800     -6.8400003E-02
 H    3.395200       1.670900       1.975100    
 H    2.865300     -0.7344000      -1.574100    
 H    5.782900       1.945300       1.414300    
 H    5.248100     -0.4575000      -2.107500    
 H    6.716200      0.8834000     -0.6241000    
 H   -2.059200       3.241700      -1.483000    
 H   -3.472000       4.107000     -0.8387000    
 H   -3.716600       2.629400      -1.795800    
 H   -5.486900     -0.7966000       1.291800    
 H   -6.577000      0.3827000      0.5300000    
 H   -5.233000      0.9625000       1.538200    


%chk=000003798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003798

0 1
O -3.064602 2.372758 0.424161
O -4.849686 0.136503 -0.154195
N 1.717206 0.325727 0.072305
N -1.022793 -2.731590 -0.893335
N 1.260493 -1.907626 -0.598867
C -0.616747 -0.369457 -0.220729
C -1.500832 -1.463900 -0.550033
C 0.813678 -0.671930 -0.254897
C -1.182953 0.902831 0.086742
C -2.568238 1.092722 0.097715
C -2.911720 -1.260931 -0.508112
C -3.448443 -0.018207 -0.169022
C 3.140183 0.329245 0.109125
C 0.313809 -2.863574 -0.899014
C 3.757160 1.551272 0.501294
C 3.952298 -0.790033 -0.218169
C 5.159908 1.655777 0.565335
C 5.357031 -0.667341 -0.148925
C 5.972667 0.544259 0.239673
C -3.851002 3.031415 -0.649774
C -5.426501 0.479485 1.169545
H -0.576836 1.790257 0.303632
H -3.572020 -2.102622 -0.732003
H 1.299045 1.216613 0.344039
H 0.714487 -3.845510 -1.171030
H 3.135290 2.420483 0.756350
H 3.469154 -1.721837 -0.513787
H 5.617199 2.603837 0.869206
H 5.975553 -1.535691 -0.403012
H 7.063782 0.623295 0.288878
H -3.199799 3.235451 -1.520362
H -4.202738 3.977871 -0.212807
H -4.704532 2.402212 -0.957705
H -5.256015 -0.351540 1.879015
H -6.504754 0.606197 0.991809
H -4.984630 1.411080 1.566053


