%chk=000039989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039989

0 1
 O    2.866600      -2.205200      0.5287000    
 O    5.013200      -1.433700      0.2193000    
 N   -2.442900       1.868400      0.7072000    
 C   -1.175200       1.492600      8.2199998E-02
 C   3.5399999E-02   1.943600      0.8958000    
 C   -3.568800       1.349800     -6.8700001E-02
 C    1.348700       1.584400      0.2452000    
 C   -3.502700     -0.1466000     -0.2218000    
 C   -2.537800       3.322000      0.8367000    
 C    1.941600      0.3657000      0.5367000    
 C    1.940000       2.479900     -0.6324000    
 C    3.155900      3.4400001E-02 -6.4199999E-02
 C   -2.833700     -0.6935000      -1.307800    
 C   -4.112100     -0.9580000      0.7250000    
 C    3.154400       2.148600      -1.233400    
 C    3.762300      0.9258000     -0.9494000    
 C   -2.772700      -2.079800      -1.449900    
 C   -4.051100      -2.344300      0.5831000    
 C   -3.381400      -2.905100     -0.5045000    
 C    3.790300      -1.240400      0.2318000    
 C    3.369900      -3.508800      0.8403000    
 H   -1.105900       1.884000     -0.9420000    
 H   -1.066600      0.4060000      2.8899999E-02
 H   4.3200001E-02   3.029300       1.046100    
 H  -3.7000000E-03   1.508800       1.903800    
 H   -3.618100       1.817000      -1.062600    
 H   -4.514700       1.607400      0.4268000    
 H   -2.344100       3.841100     -0.1092000    
 H   -1.859800       3.707200       1.604000    
 H   -3.540400       3.610700       1.175100    
 H    1.458200     -0.3109000       1.236800    
 H    1.473300       3.433500     -0.8624000    
 H   -2.368300     -6.4599998E-02  -2.061600    
 H   -4.634500     -0.5319000       1.576900    
 H    3.625800       2.842100      -1.923700    
 H    4.706900      0.6820000      -1.428600    
 H   -2.254200      -2.516500      -2.298400    
 H   -4.524700      -2.987000       1.319400    
 H   -3.334500      -3.984500     -0.6154000    
 H    4.008800      -3.463900       1.727100    
 H    3.921000      -3.914000     -1.3400000E-02
 H    2.518400      -4.160800       1.051900    


%chk=000039989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039989

0 1
O 2.888509 -2.266190 0.645651
O 4.888533 -1.666029 -0.385294
N -2.477766 1.978291 0.351509
C -1.092547 1.742678 -0.120519
C -0.034062 1.933672 1.000352
C -3.493000 1.319259 -0.508497
C 1.369018 1.636603 0.495313
C -3.461346 -0.204337 -0.419760
C -2.782035 3.407038 0.569792
C 1.888543 0.320532 0.535098
C 2.170624 2.663350 -0.069721
C 3.179389 0.034279 0.023747
C -3.691503 -0.998761 -1.569748
C -3.250442 -0.848291 0.826117
C 3.458877 2.384853 -0.582066
C 3.967847 1.071653 -0.538147
C -3.722204 -2.409909 -1.478695
C -3.275974 -2.257023 0.919730
C -3.515163 -3.043892 -0.232370
C 3.757840 -1.339819 0.055714
C 3.392414 -3.656484 0.708238
H -0.834432 2.405251 -0.986552
H -1.027966 0.700664 -0.482379
H -0.080491 2.969468 1.385645
H -0.305170 1.260485 1.833984
H -3.403694 1.627618 -1.581894
H -4.484956 1.677113 -0.165207
H -2.726475 4.017392 -0.367501
H -2.077254 3.842407 1.298503
H -3.799682 3.509828 0.987047
H 1.295909 -0.493096 0.965573
H 1.783180 3.689574 -0.100606
H -3.845316 -0.512114 -2.541427
H -3.056268 -0.226266 1.707068
H 4.063958 3.191339 -1.010296
H 4.962858 0.828075 -0.924589
H -3.900206 -3.011374 -2.377529
H -3.111202 -2.742526 1.888746
H -3.535316 -4.137293 -0.160041
H 4.325378 -3.699911 1.295314
H 3.589161 -4.038643 -0.307731
H 2.588434 -4.224665 1.196830


