%chk=000018113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018113

0 1
 O    5.269300      0.2812000     -6.4900003E-02
 O   -1.278800      -2.872400       1.178300    
 N    2.431500      0.3329000      0.1489000    
 N   -3.162000      -2.423600     -3.7200000E-02
 C   -1.177600     -0.9976000     -0.4007000    
 C   0.2853000     -0.8563000      0.1404000    
 C    1.088200      0.3217000     -0.4266000    
 C    3.154500     -0.9008000     -0.1895000    
 C    3.188500       1.503700     -0.3157000    
 C   -1.967400      0.2914000     -0.1143000    
 C   -1.113100      -1.393300      -1.896300    
 C    4.556400     -0.8607000      0.4118000    
 C    4.590200       1.487100      0.2875000    
 C   -1.854900      -2.186000      0.3348000    
 C   -2.090700      0.7024000       1.188800    
 C   -2.511300      0.9704000      -1.175200    
 C   -2.806600       1.871100       1.448700    
 C   -3.227100       2.139100     -0.9153000    
 C   -3.374600       2.589400      0.3967000    
 H   0.7701000      -1.809700     -9.4599999E-02
 H   0.2846000     -0.7878000       1.237000    
 H    1.139200      0.2673000      -1.519900    
 H   0.5855000       1.260700     -0.1694000    
 H    3.223900      -1.021300      -1.278300    
 H    2.687300      -1.794000      0.2311000    
 H    2.683400       2.428400     -1.4200000E-02
 H    3.263400       1.498300      -1.411000    
 H  -0.5548000      -2.329700      -2.021100    
 H   -2.103400      -1.570100      -2.331800    
 H  -0.6135000     -0.6380000      -2.511500    
 H    5.117600      -1.751200      0.1107000    
 H    4.527400     -0.8422000       1.508200    
 H    4.561900       1.585500       1.379600    
 H    5.174800       2.325200     -0.1053000    
 H   -1.663800      0.1519000       2.020300    
 H   -2.424800      0.6646000      -2.210000    
 H   -3.651400      -1.855700     -0.7209000    
 H   -3.690700      -3.180900      0.3827000    
 H   -2.923500       2.220800       2.470300    
 H   -3.669700       2.699300      -1.733900    
 H   -3.932300       3.499100      0.5990000    


%chk=000018113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018113

0 1
O 5.322971 0.492913 0.274155
O -1.283313 -3.426339 0.214804
N 2.432122 0.222164 0.036619
N -3.208929 -2.176502 0.497828
C -1.211874 -1.076294 -0.567168
C 0.262391 -1.036612 -0.037528
C 1.135099 0.065013 -0.671370
C 3.335466 -0.946507 -0.134011
C 3.133595 1.467114 -0.373699
C -1.949968 0.236418 -0.238344
C -1.212214 -1.411631 -2.090100
C 4.624940 -0.739911 0.676885
C 4.420870 1.643580 0.447515
C -1.893064 -2.320680 0.104669
C -1.989856 0.706266 1.106407
C -2.605363 1.015857 -1.227345
C -2.650461 1.905570 1.445198
C -3.269377 2.219737 -0.892172
C -3.295330 2.671840 0.445034
H 0.685786 -2.041524 -0.210185
H 0.266503 -0.877105 1.056779
H 1.296027 -0.143277 -1.760180
H 0.604066 1.033675 -0.598929
H 3.599067 -1.100186 -1.212355
H 2.829477 -1.859710 0.226562
H 2.462794 2.329620 -0.197184
H 3.397955 1.451776 -1.462368
H -0.641470 -2.341292 -2.252647
H -2.236226 -1.573059 -2.473307
H -0.742874 -0.606498 -2.681374
H 5.343127 -1.556857 0.496635
H 4.376015 -0.691283 1.759133
H 4.161534 1.757280 1.522506
H 4.994066 2.522405 0.108044
H -1.496493 0.128281 1.896406
H -2.598948 0.691058 -2.272102
H -3.682578 -1.274980 0.458059
H -3.690665 -2.989906 0.880699
H -2.662577 2.243063 2.487761
H -3.764033 2.802026 -1.677935
H -3.807258 3.604697 0.705804


