%chk=000040227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040227

0 1
 O    3.022100      -1.148500     -4.4000000E-03
 O    4.528900       1.016600      1.5100000E-02
 N   0.1869000       1.101500     -3.5000001E-03
 C   -1.289400     -0.5712000      6.0000003E-04
 C   2.6699999E-02  -1.112400     -1.9999999E-04
 C   -1.160600      0.8194000     -1.3000000E-03
 C   0.9125000     -5.9500001E-02 -2.7999999E-03
 C   -2.581700      -1.132600      2.7000001E-03
 C   0.3765000      -2.549300      1.1000000E-03
 C   -2.264100       1.680000     -1.1000000E-03
 C    2.342100     -9.2900001E-02 -4.1000000E-03
 C   -3.694700     -0.2840000      3.4000000E-03
 C   -3.536000       1.100500      1.4000000E-03
 C    3.130700       1.232300     -7.0000002E-03
 H   0.5728000       2.035600     -5.2999998E-03
 H   -2.726800      -2.209000      4.1999999E-03
 H  -0.5114000      -3.188700      3.3000000E-03
 H   0.9616000      -2.805200     -0.8883000    
 H   0.9644000      -2.803000      0.8894000    
 H   -2.141500       2.757900     -2.7000001E-03
 H   -4.694000     -0.7113000      5.2999998E-03
 H   -4.414300       1.740900      1.8000000E-03
 H    2.865100       1.805800      0.8858000    
 H    2.879300       1.808000     -0.9028000    
 H    4.766600      0.5688000     -0.8146000    


%chk=000040227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040227

0 1
O 3.074196 -1.109739 -0.091361
O 4.575691 1.066983 -0.153285
N 0.177477 1.181213 -0.039649
C -1.294903 -0.565851 -0.002202
C 0.037722 -1.119428 -0.027812
C -1.178042 0.873522 -0.009607
C 0.931462 -0.021193 -0.049897
C -2.590480 -1.155626 0.026861
C 0.411715 -2.574859 -0.031439
C -2.310340 1.721042 0.011830
C 2.383092 -0.033218 -0.084968
C -3.716566 -0.317173 0.047951
C -3.575950 1.106741 0.040549
C 3.153232 1.304727 -0.115988
H 0.566825 2.121238 -0.043411
H -2.707390 -2.244775 0.032701
H -0.486405 -3.215374 -0.011133
H 1.010846 -2.832493 -0.923478
H 1.047464 -2.827383 0.836258
H -2.213742 2.812084 0.006251
H -4.721246 -0.752573 0.070534
H -4.475886 1.731613 0.057601
H 2.894246 1.897308 0.789041
H 2.843317 1.883409 -1.013334
H 4.685368 0.069504 -0.146012


