%chk=000057330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057330

0 1
 O    3.427600       2.338500     -0.1042000    
 O    1.494300       3.386900     -0.1280000    
 N    2.179800       2.344800     -8.7300003E-02
 C  -0.6119000     -0.1353000     -4.6999999E-03
 C   9.9399999E-02   1.079500     -3.2900002E-02
 C   -2.033600     -0.1226000      4.1000000E-03
 C  -0.6372000       2.385800     -0.2181000    
 C   -2.029300       2.370200      0.4045000    
 C   -2.763800       1.082700      0.1262000    
 C   0.1077000      -1.361100     -1.1000000E-02
 C    1.496800       1.087100     -1.8100001E-02
 C   -2.752600      -1.334600     -8.2999997E-02
 C    1.547400      -1.346300      2.7000001E-02
 C    2.225800     -0.1023000      2.8300000E-02
 C  -0.6554000      -2.548400     -7.0900001E-02
 C   -2.050300      -2.537500     -0.1254000    
 C   -4.165000       1.076100      0.1154000    
 C   -4.156500      -1.321100     -0.1084000    
 C    2.358700      -2.509500      5.9799999E-02
 C   -4.857600     -0.1215000     -1.8100001E-02
 C    3.630400     -5.0700001E-02  5.9200000E-02
 C    3.754600      -2.445800      9.3000002E-02
 C    4.390900      -1.214900      9.2600003E-02
 H  -0.3012000       3.225500      0.3848000    
 H  -0.6940000       2.642700      -1.282300    
 H   -1.961100       2.471700       1.496900    
 H   -2.601500       3.228700      3.1300001E-02
 H  -0.1783000      -3.524800     -9.3500003E-02
 H   -2.577300      -3.487800     -0.1843000    
 H   -4.721000       2.003400      0.2264000    
 H   -4.717900      -2.250000     -0.1865000    
 H    1.917500      -3.502900      6.4999998E-02
 H   -5.943500     -0.1244000     -2.8000001E-02
 H    4.339400      0.7511000      0.1421000    
 H    4.338100      -3.361300      0.1227000    
 H    5.475500      -1.166900      0.1337000    


%chk=000057330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057330

0 1
O 3.131686 2.693658 0.759202
O 1.909907 3.230356 -1.086903
N 2.226716 2.424060 -0.125609
C -0.601764 -0.098453 -0.005158
C 0.111708 1.161644 -0.074168
C -2.060159 -0.102742 0.019352
C -0.701209 2.439157 -0.241133
C -2.037733 2.377312 0.522958
C -2.804406 1.107342 0.215579
C 0.116758 -1.337253 -0.024593
C 1.506938 1.133865 -0.034036
C -2.772328 -1.347273 -0.112236
C 1.576247 -1.336818 0.027487
C 2.291173 -0.082395 0.055370
C -0.634143 -2.564459 -0.119644
C -2.017713 -2.568890 -0.191460
C -4.206818 1.071950 0.194742
C -4.201331 -1.350528 -0.128808
C 2.336753 -2.548606 0.053193
C -4.910461 -0.152842 0.007383
C 3.721656 -0.090504 0.109761
C 3.733766 -2.535182 0.104907
C 4.430457 -1.294759 0.129467
H -0.130937 3.328412 0.069843
H -0.897965 2.572124 -1.324224
H -1.830950 2.415903 1.613088
H -2.645519 3.268399 0.283791
H -0.106186 -3.519989 -0.159045
H -2.560599 -3.516122 -0.290868
H -4.768685 2.002161 0.340301
H -4.730533 -2.303778 -0.240591
H 1.824187 -3.513685 0.039420
H -6.005520 -0.152966 -0.010686
H 4.266523 0.854408 0.152139
H 4.290886 -3.477632 0.128655
H 5.524498 -1.280874 0.170823


