%chk=000033953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033953

0 1
 O    3.855000       1.484500      0.9457000    
 N   -1.143100      -2.890100     -3.1999999E-03
 N    3.166000      2.9500000E-02 -0.7375000    
 N   -2.063500     -0.7474000      0.2979000    
 N   -3.137500      -2.443400      -1.011500    
 C    1.162400      -2.079800     -6.4099997E-02
 C    2.432600      -1.793500      0.7467000    
 C   4.5400001E-02  -2.678700      0.7874000    
 C    3.550200      -1.203400     -0.1079000    
 C   -2.130000      -1.941100     -0.2142000    
 C    3.351400       1.276800     -0.1552000    
 C   -3.160800      0.1662000      8.2000000E-03
 C   -2.898800       1.487400      0.6610000    
 C   -2.232700       2.540200      0.1499000    
 C    2.883500       2.401500      -1.039300    
 C   -2.028700       3.786000      0.9703000    
 C   -1.651500       2.605300      -1.234200    
 H   0.8003000      -1.152900     -0.5254000    
 H    1.399800      -2.764500     -0.8883000    
 H    2.189600      -1.100400       1.561700    
 H    2.789000      -2.721900       1.208300    
 H   0.3741000      -3.644400       1.188500    
 H  -0.1710000      -2.039700       1.651300    
 H    3.831100      -1.902100     -0.9031000    
 H    4.434900      -1.028000      0.5140000    
 H   -1.232900      -3.796300     -0.4543000    
 H    2.744100     -2.5200000E-02  -1.660100    
 H   -4.104500     -0.2259000      0.4077000    
 H   -3.296200      0.2956000      -1.071500    
 H   -3.276300       1.566000       1.679900    
 H    2.659200       3.278700     -0.4261000    
 H    3.672200       2.649700      -1.754500    
 H    1.977100       2.119100      -1.582400    
 H   -3.100400      -3.393300      -1.365200    
 H   -3.948300      -1.893000      -1.270700    
 H  -0.9594000       3.983500       1.099200    
 H   -2.484000       4.647400      0.4706000    
 H   -2.474100       3.707100       1.967600    
 H  -0.5859000       2.853100      -1.182800    
 H   -1.734600       1.663000      -1.781200    
 H   -2.157600       3.379400      -1.820100    


%chk=000033953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033953

0 1
O 3.914611 1.128541 -0.018197
N -0.882210 -2.484668 1.113369
N 2.031799 -0.178935 -0.484280
N -0.832600 -0.655597 -0.384835
N -2.906005 -1.790958 0.155643
C 1.364044 -3.143742 0.126518
C 2.790187 -2.564687 -0.076124
C 0.580985 -2.458096 1.285689
C 2.821722 -1.312321 -0.991433
C -1.520803 -1.588186 0.254364
C 2.649067 0.966113 -0.019623
C -1.570909 0.348525 -1.200654
C -2.229964 1.428774 -0.353277
C -2.128203 2.781595 -0.500280
C 1.708380 2.054144 0.500409
C -2.835093 3.720384 0.465550
C -1.333103 3.481446 -1.588252
H 0.789223 -3.006802 -0.810112
H 1.414027 -4.234821 0.314486
H 3.248060 -2.314918 0.901687
H 3.439676 -3.332014 -0.542648
H 0.820990 -2.943957 2.250111
H 0.884600 -1.403436 1.368400
H 2.441958 -1.597116 -1.994032
H 3.860377 -0.952615 -1.101920
H -1.356539 -3.371971 1.289605
H 0.987332 -0.291901 -0.440231
H -2.334929 -0.138114 -1.856068
H -0.839926 0.797999 -1.893971
H -2.829774 1.050094 0.488625
H 2.001897 2.314317 1.532613
H 1.840340 2.963951 -0.112441
H 0.646334 1.756470 0.487042
H -3.405304 -2.347890 0.844454
H -3.454151 -1.220277 -0.480480
H -2.102826 4.363242 0.993885
H -3.524205 4.401919 -0.071955
H -3.418087 3.169960 1.224147
H -0.624943 4.205962 -1.140517
H -0.753840 2.791566 -2.222831
H -2.006096 4.063017 -2.249336


