%chk=000001311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001311

0 1
 O   0.2748000      -1.522900      0.5093000    
 O   -3.972600      -1.573200     -0.1477000    
 O   -1.447800      -3.026500      0.1768000    
 O   -4.984900       1.017600     -0.2015000    
 N    1.428000       1.848900     -0.5682000    
 C    1.436300      0.3713000     -0.4862000    
 C   0.4429000     -8.2199998E-02  0.5957000    
 C    2.805200     -0.2421000     -0.2399000    
 C    2.244100       2.459800      0.4883000    
 C    3.708400       2.015200      0.4694000    
 C    3.869700      0.5337000      0.2531000    
 C  -0.9374000      0.4108000      0.3941000    
 C   -1.793100     -0.6595000      0.2234000    
 C    1.802700       2.327200      -1.899500    
 C    3.010500      -1.609900     -0.4822000    
 C   -1.026000      -1.893000      0.2908000    
 C    5.116800     -6.4599998E-02  0.4837000    
 C   -1.426100       1.705300      0.3726000    
 C   -3.152200     -0.5059000      2.0300001E-02
 C    4.252400      -2.196800     -0.2412000    
 C    5.304900      -1.424600      0.2419000    
 C   -2.796400       1.894800      0.1691000    
 C   -3.654000      0.7956000     -6.2000002E-03
 C   -4.697300      -1.653700      -1.376500    
 C   -5.808800       1.074400      0.9607000    
 H    1.079700     -2.7500000E-02  -1.448400    
 H   0.7899000      0.1380000       1.612200    
 H    1.807900       2.212700       1.464500    
 H    2.190400       3.553900      0.4251000    
 H    4.174100       2.301900       1.420100    
 H    4.244500       2.539800     -0.3311000    
 H    1.765000       3.421500      -1.939600    
 H    1.086200       1.967000      -2.646400    
 H    2.803000       2.005800      -2.207700    
 H    2.215200      -2.230300     -0.8863000    
 H    5.950400      0.5302000      0.8490000    
 H  -0.7930000       2.568300      0.5398000    
 H    4.400300      -3.254600     -0.4381000    
 H    6.274000      -1.879600      0.4242000    
 H   -3.198200       2.905000      0.1548000    
 H   -4.169600      -1.157600      -2.198400    
 H   -5.695900      -1.226300      -1.251000    
 H   -4.810100      -2.711600      -1.631100    
 H   -5.502600       1.902500       1.607500    
 H   -5.763700      0.1301000       1.512500    
 H   -6.840700       1.243100      0.6411000    


%chk=000001311-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001311

0 1
O 0.173387 -1.320787 0.724800
O -4.309317 -1.166914 -0.180066
O -1.542580 -2.868090 0.543809
O -5.133430 1.517318 -0.223032
N 1.561163 2.024310 -0.379318
C 1.398622 0.547793 -0.420703
C 0.348204 0.161111 0.680377
C 2.723433 -0.230865 -0.298390
C 2.516272 2.458275 0.671679
C 3.942946 1.906891 0.448099
C 3.918553 0.415479 0.130021
C -1.053988 0.682360 0.429561
C -1.949988 -0.411930 0.282751
C 1.804808 2.632531 -1.706067
C 2.768192 -1.606043 -0.644245
C -1.190805 -1.671725 0.502120
C 5.117305 -0.337524 0.220885
C -1.502646 2.010107 0.365660
C -3.336366 -0.192674 0.037386
C 3.966054 -2.342895 -0.555416
C 5.150020 -1.706080 -0.114517
C -2.885924 2.233536 0.184815
C -3.799721 1.164286 0.035095
C -4.008721 -2.319494 -1.064400
C -6.182358 0.911364 0.628162
H 0.929871 0.289229 -1.390176
H 0.733958 0.450880 1.675020
H 2.138094 2.112091 1.652568
H 2.523833 3.563484 0.699700
H 4.569081 2.097824 1.340969
H 4.423516 2.451658 -0.390441
H 1.879952 3.729140 -1.592284
H 0.947891 2.418743 -2.369389
H 2.730327 2.272840 -2.213059
H 1.849265 -2.105692 -0.966257
H 6.034134 0.164238 0.556218
H -0.791211 2.833962 0.451591
H 3.975937 -3.405086 -0.823224
H 6.085915 -2.270719 -0.036005
H -3.296089 3.247337 0.138553
H -3.338078 -3.030752 -0.558368
H -3.554350 -1.961198 -2.006958
H -4.991444 -2.770497 -1.268705
H -6.023794 1.196528 1.686113
H -6.187122 -0.185320 0.526333
H -7.125897 1.342969 0.261535


