%chk=000095909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095909

0 1
 O    4.560900     -0.3839000      0.2505000    
 N    1.851000      0.3883000     -0.1524000    
 N   -2.406000      -1.113000      0.4457000    
 C    2.279000      -1.011400     -0.2844000    
 C    2.716300       1.091100      0.8050000    
 C   0.4510000      0.4662000      0.2592000    
 C    3.745700      -1.067600     -0.7021000    
 C    4.172400      0.9859000      0.3607000    
 C  -0.4897000     -0.2160000     -0.7311000    
 C   -1.940700     -0.1171000     -0.3284000    
 C   -2.678200      0.9599000     -0.7681000    
 C   -4.011900       1.021000     -0.3794000    
 C   -3.706400      -1.019700      0.8034000    
 C   -4.543500      1.6300000E-02  0.4214000    
 H    1.722100      -1.540200      -1.062700    
 H    2.145800      -1.545900      0.6650000    
 H    2.609200      0.6549000       1.806800    
 H    2.438700       2.149700      0.8636000    
 H   0.1619000       1.522400      0.3409000    
 H   0.3127000      2.8999999E-02   1.257900    
 H    4.083100      -2.108400     -0.7412000    
 H    3.901100     -0.6313000      -1.696500    
 H    4.340900       1.492500     -0.5975000    
 H    4.823600       1.457600       1.103500    
 H  -0.3566000      0.2016000      -1.737700    
 H  -0.2766000      -1.287400     -0.8146000    
 H   -2.251400       1.738200      -1.390800    
 H   -4.635500       1.850300     -0.6994000    
 H   -4.072500      -1.827800       1.428000    
 H   -5.580300      4.3400001E-02  0.7366000    


%chk=000095909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095909

0 1
O 4.706552 -0.316063 0.218432
N 1.867161 0.254584 -0.087466
N -2.402265 -1.013231 0.417524
C 2.391762 -1.133758 -0.179149
C 2.727847 1.057772 0.821453
C 0.436733 0.313411 0.299395
C 3.847756 -1.113980 -0.672891
C 4.177928 1.054830 0.310599
C -0.508768 -0.110783 -0.856110
C -1.961244 -0.027507 -0.431551
C -2.811303 1.025318 -0.859584
C -4.148937 1.065339 -0.407155
C -3.695478 -0.960363 0.848358
C -4.605519 0.052356 0.466723
H 1.779087 -1.715925 -0.891243
H 2.344384 -1.649384 0.813545
H 2.710392 0.657508 1.866922
H 2.350539 2.097974 0.847358
H 0.207822 1.360849 0.576311
H 0.211593 -0.320915 1.191685
H 4.282675 -2.127209 -0.670349
H 3.882946 -0.692699 -1.700945
H 4.218684 1.539958 -0.688877
H 4.848101 1.583435 1.008782
H -0.314248 0.536618 -1.729196
H -0.291549 -1.155070 -1.144953
H -2.425432 1.793214 -1.538551
H -4.820985 1.867714 -0.730530
H -4.005961 -1.767592 1.522593
H -5.634172 0.042199 0.840769


