%chk=000037215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037215

0 1
 O   0.1985000      0.2799000      5.5700000E-02
 O    2.750800     -9.8999999E-02  0.1067000    
 O   -5.227400     -0.3982000     -6.3600004E-02
 O   -4.196200       2.245700     -2.7000001E-02
 O    2.564500      -2.384700      9.0300001E-02
 N    6.241700       1.089600      0.2026000    
 C   -1.631100      -1.045400      9.3000000E-03
 C  -0.4726000      -1.867000      2.8800000E-02
 C   -1.164300      0.2661000      2.6699999E-02
 C   0.6071000      -1.015300      5.6699999E-02
 C   -3.019400      -1.270400     -2.1500001E-02
 C   -1.984500       1.394000      1.5600000E-02
 C   -3.869400     -0.1576000     -3.3399999E-02
 C   -3.359100       1.148800     -1.5300000E-02
 C    4.789300       1.167700      0.1555000    
 C  -0.4355000      -3.342500      2.0300001E-02
 C    4.177300     -0.2239000      0.1353000    
 C    2.008700      -1.265300      8.5000001E-02
 C    6.831000       2.429400      0.2643000    
 C    6.759600      0.3630000     -0.9593000    
 C   -6.026700      0.7210000     -7.4900001E-02
 C   -5.542000       1.963800     -5.7799999E-02
 H   -3.425300      -2.277400     -3.5799999E-02
 H   -1.575200       2.397200      2.9899999E-02
 H    4.436600       1.738200     -0.7146000    
 H    4.408300       1.698700       1.037600    
 H   0.1052000      -3.709000     -0.8585000    
 H   6.7400001E-02  -3.720200      0.9166000    
 H   -1.439200      -3.777700     -3.8000001E-03
 H    4.469700     -0.7874000       1.029400    
 H    4.462100     -0.7849000     -0.7598000    
 H    6.469500       2.967900       1.147500    
 H    6.595100       3.025800     -0.6246000    
 H    7.920700       2.367600      0.3607000    
 H    7.853300      0.4385000     -0.9990000    
 H    6.366100      0.7512000      -1.905900    
 H    6.555600     -0.7101000     -0.8940000    
 H   -7.075800      0.4689000     -9.8999999E-02
 H   -6.143200       2.860000     -6.5899998E-02


%chk=000037215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037215

0 1
O 0.163573 0.387147 0.061662
O 2.791755 -0.103170 0.109626
O -5.355573 -0.447760 -0.052165
O -4.343739 2.293036 -0.004631
O 2.517340 -2.426045 0.082810
N 6.354304 1.043941 0.087057
C -1.687873 -1.007086 0.011503
C -0.506938 -1.850577 0.026234
C -1.233666 0.342036 0.033965
C 0.585963 -0.980422 0.056313
C -3.085441 -1.263622 -0.017733
C -2.089035 1.455230 0.029140
C -3.954898 -0.170334 -0.022980
C -3.463044 1.178151 0.000265
C 4.877664 1.092257 -0.017209
C -0.492248 -3.353044 0.012594
C 4.268993 -0.304671 0.153864
C 2.023776 -1.264516 0.083332
C 6.935887 2.347408 0.468404
C 7.007310 0.482997 -1.114506
C -6.193515 0.696646 -0.055902
C -5.728202 1.966719 -0.033890
H -3.496751 -2.276327 -0.035703
H -1.727968 2.485262 0.046794
H 4.526076 1.532899 -0.983236
H 4.489274 1.735452 0.792743
H -0.993576 -3.739469 -0.895122
H 0.538392 -3.736297 0.036617
H -1.042052 -3.755903 0.884290
H 4.549035 -0.743267 1.127291
H 4.554218 -1.010168 -0.646256
H 6.490482 2.692501 1.418059
H 6.780833 3.147585 -0.299488
H 8.023911 2.234240 0.624013
H 8.096003 0.414076 -0.942284
H 6.839209 1.102325 -2.032523
H 6.637750 -0.536707 -1.317415
H -7.248987 0.431870 -0.078385
H -6.357041 2.854607 -0.036343


