%chk=000017172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017172

0 1
 O   0.1560000      -1.052200      8.6300001E-02
 N    4.940800     -0.7584000      0.1525000    
 N   -4.611200      -1.390800      2.5900001E-02
 C    1.189400       1.141300     -3.5000001E-03
 C   -1.225200      0.9922000     -3.5799999E-02
 C    1.273900     -0.2515000      6.5899998E-02
 C   -1.104300     -0.4624000      3.7099998E-02
 C  -0.1274000       1.766300     -5.5500001E-02
 C    2.515500     -0.8863000      0.1180000    
 C    2.362700       1.901200     -2.0900000E-02
 C    3.682200     -0.1233000      0.1004000    
 C   -2.543900       1.602600     -8.6700000E-02
 C   -2.200000      -1.235200      5.6699999E-02
 C    3.606100       1.267900      3.0800000E-02
 C   -3.561700     -0.6317000      5.2000000E-03
 C   -3.654300      0.8546000     -6.8499997E-02
 C    5.173600      -2.065300     -0.3792000    
 C   -5.872100     -0.6689000     -2.8700000E-02
 H  -0.1812000       2.849100     -0.1090000    
 H    2.547400      -1.970700      0.1799000    
 H    2.323000       2.986400     -7.4600004E-02
 H   -2.623600       2.684200     -0.1405000    
 H   -2.129900      -2.316400      0.1105000    
 H    4.509500       1.872600      1.6000001E-02
 H   -4.604100       1.371400     -0.1090000    
 H    5.744600     -0.1487000      0.2641000    
 H    4.822400      -2.146800      -1.413200    
 H    4.691300      -2.837800      0.2279000    
 H    6.247700      -2.277400     -0.3776000    
 H   -6.002000     -0.1156000     -0.9656000    
 H   -6.029900     -2.7300000E-02  0.8453000    
 H   -6.682500      -1.406700     -5.2000000E-03


%chk=000017172-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017172

0 1
O 0.153619 -0.937434 -0.082079
N 4.983162 -0.762514 -0.103080
N -4.608644 -1.432356 -0.060454
C 1.243108 1.277257 -0.014238
C -1.215995 1.139782 -0.002241
C 1.314895 -0.152483 -0.062810
C -1.129849 -0.317244 -0.051771
C -0.051568 1.905667 0.015150
C 2.531614 -0.848116 -0.094620
C 2.481532 1.985639 0.001498
C 3.754229 -0.117129 -0.076515
C -2.553599 1.699989 0.026142
C -2.233413 -1.133985 -0.070656
C 3.708448 1.317874 -0.027854
C -3.584381 -0.572360 -0.041381
C -3.676866 0.902505 0.008243
C 5.144203 -2.214718 -0.151885
C -5.985227 -0.895788 -0.030464
H -0.114941 2.999526 0.051798
H 2.509900 -1.939490 -0.134003
H 2.460002 3.081124 0.038447
H -2.646333 2.793000 0.062830
H -2.135256 -2.221601 -0.107352
H 4.646333 1.885723 -0.012578
H -4.669434 1.365296 0.030914
H 5.820630 -0.182918 -0.102708
H 4.708206 -2.647837 -1.074471
H 4.665404 -2.707440 0.717230
H 6.217910 -2.462293 -0.133610
H -6.216787 -0.247591 -0.904613
H -6.198708 -0.299223 0.884127
H -6.689394 -1.744462 -0.047994


