%chk=000157089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157089

1 1
 I   -1.225200       2.713000      0.2639000    
 O   0.2584000     -0.6558000     -0.6005000    
 O  -9.4499998E-02 -0.6308000       1.674200    
 N    3.875200      0.1313000     -0.1262000    
 C    2.389300      0.4084000     -0.3031000    
 C    4.382600     -0.6873000      -1.304600    
 C    4.632700       1.449800     -6.0800001E-02
 C    4.096600     -0.6453000       1.163700    
 C    1.642800     -0.9075000     -0.3989000    
 C  -0.4986000     -0.5389000      0.5255000    
 C   -1.919200     -0.2798000      0.1803000    
 C   -2.410000       1.002100      3.0800000E-02
 C   -2.723000      -1.393400      1.7500000E-02
 C   -3.755100       1.179600     -0.2933000    
 C   -4.068000      -1.216100     -0.3067000    
 C   -4.584000      7.0600003E-02 -0.4621000    
 H    2.050200       1.007000      0.5502000    
 H    2.255200       1.009500      -1.210600    
 H    4.055600     -0.2091000      -2.232700    
 H    5.476600     -0.7007000      -1.259100    
 H    4.021400      -1.716300      -1.234900    
 H    4.253100       2.023600      0.7899000    
 H    5.698000       1.236600      6.8200000E-02
 H    4.463100       1.992000     -0.9958000    
 H    3.568600     -0.1370000       1.975900    
 H    3.754700      -1.676600       1.049900    
 H    5.172000     -0.6573000       1.369400    
 H    1.946700      -1.483200      -1.276700    
 H    1.773200      -1.561000      0.4680000    
 H   -2.329600      -2.399000      0.1369000    
 H   -4.181000       2.171700     -0.4204000    
 H   -4.713500      -2.079600     -0.4382000    
 H   -5.631300      0.2084000     -0.7147000    


%chk=000157089-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157089

1 1
I -1.767899 2.113490 -2.295909
O 0.295323 -0.005087 -1.341408
O 0.331947 -1.169580 0.660198
N 3.829802 0.041166 0.041645
C 2.547327 0.650456 -0.575120
C 4.672702 -0.643143 -1.033885
C 4.646322 1.180488 0.656229
C 3.472182 -0.960418 1.147786
C 1.728969 -0.328492 -1.454639
C -0.335994 -0.515761 -0.187818
C -1.791656 -0.248037 -0.113141
C -2.551480 0.694512 -0.873887
C -2.478500 -1.057810 0.845650
C -3.950368 0.785801 -0.680157
C -3.865893 -0.963900 1.031481
C -4.606142 -0.040361 0.258592
H 1.933371 0.991619 0.273542
H 2.868902 1.531562 -1.155319
H 4.841545 0.061673 -1.862678
H 5.637537 -0.938680 -0.594471
H 4.149914 -1.538220 -1.399563
H 4.007074 1.742996 1.353430
H 5.503389 0.753975 1.199465
H 5.003294 1.846211 -0.144456
H 3.064052 -0.405204 2.005449
H 2.699822 -1.654712 0.790247
H 4.387056 -1.497460 1.441123
H 1.946878 -0.202215 -2.524917
H 1.883437 -1.381653 -1.158763
H -1.881618 -1.766406 1.428380
H -4.531664 1.506686 -1.260815
H -4.366475 -1.602334 1.765206
H -5.690155 0.047736 0.383524


