%chk=000052514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052514

1 1
 O  -0.1810000      -1.741200       1.969300    
 N   -2.613500      -1.000300      0.5507000    
 N    3.747700      -1.329100     -0.9711000    
 C   -1.206500      -1.065500     -0.1036000    
 C   -2.540000      0.5779000      -1.498900    
 C   -2.962400      0.4344000      0.9871000    
 C   -1.164400     -6.5300003E-02  -1.273000    
 C   -2.968400       1.361500     -0.2400000    
 C   -3.650000      -1.452100     -0.5029000    
 C   -3.554600     -0.5477000      -1.729900    
 C  -7.1300000E-02 -0.8188000      0.8888000    
 C   -2.723200      -1.937300       1.749400    
 C   -2.130200       2.584000     -6.6999998E-03
 C    1.284500     -0.9633000      0.2424000    
 C   -2.612300       3.831400      2.4000001E-03
 C    2.208500      8.1699997E-02  0.2323000    
 C    1.577100      -2.180000     -0.3433000    
 C    3.450100     -0.1483000     -0.3966000    
 C    1.931600       1.326700      0.8221000    
 C    2.817500      -2.310700     -0.9343000    
 C    4.378600      0.8888000     -0.4115000    
 C    2.878600       2.346400      0.7924000    
 C    4.103500       2.126800      0.1747000    
 H   -1.149800      -2.088100     -0.4980000    
 H   -2.507500       1.235200      -2.375800    
 H   -2.253800      0.7361000       1.765300    
 H   -3.960000      0.3941000       1.442500    
 H  -0.8580000     -0.5992000      -2.182400    
 H  -0.4110000      0.7153000      -1.130600    
 H   -4.007100       1.689300     -0.3935000    
 H   -4.642500      -1.388200     -4.1999999E-02
 H   -3.439500      -2.498100     -0.7531000    
 H   -3.267200      -1.143500      -2.605000    
 H   -4.543500     -0.1316000      -1.957800    
 H  -0.2271000      0.1524000       1.346100    
 H   -2.274800      -2.901800       1.495400    
 H   -2.288300      -1.464400       2.633000    
 H   -3.788400      -2.086900       1.958700    
 H   -1.070000       2.452600      0.1880000    
 H   0.6231000      -1.669300       2.511600    
 H   -1.953700       4.672900      0.1879000    
 H   -3.662300       4.037100     -0.1736000    
 H   0.8909000      -3.018500     -0.3394000    
 H    1.004300       1.571300       1.323700    
 H    3.112500      -3.241200      -1.408400    
 H    5.345700      0.7421000     -0.8891000    
 H    2.662400       3.307300       1.249400    
 H    4.848500       2.916700      0.1470000    


%chk=000052514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052514

1 1
O -0.195086 -2.454092 1.742977
N -2.621820 -0.896100 0.651214
N 3.784525 -1.247652 -1.178877
C -1.203116 -1.111653 0.001848
C -2.393659 0.569161 -1.500754
C -2.820801 0.602531 0.970322
C -1.019103 0.002792 -1.070910
C -2.985026 1.432290 -0.339457
C -3.666677 -1.307901 -0.415783
C -3.355411 -0.615389 -1.767256
C -0.030895 -1.184573 1.014910
C -2.870524 -1.721059 1.906454
C -2.334650 2.795101 -0.193516
C 1.308460 -1.153465 0.272412
C -3.007733 3.969995 -0.236525
C 2.175471 0.000575 0.275107
C 1.709052 -2.298995 -0.429258
C 3.417621 -0.105093 -0.477818
C 1.907878 1.229762 0.967403
C 2.949683 -2.301508 -1.139613
C 4.323065 1.003000 -0.514980
C 2.814484 2.292119 0.917955
C 4.028552 2.183072 0.168886
H -1.275577 -2.109768 -0.468109
H -2.284090 1.188332 -2.405583
H -1.939826 0.923125 1.551817
H -3.706190 0.681619 1.622552
H -0.488501 -0.432134 -1.933936
H -0.374667 0.812237 -0.687180
H -4.062760 1.587253 -0.538726
H -4.646818 -1.006964 -0.007965
H -3.639243 -2.408144 -0.480872
H -2.897028 -1.325437 -2.477806
H -4.296881 -0.261802 -2.221210
H -0.086447 -0.337016 1.728240
H -2.598285 -2.767705 1.718238
H -2.246545 -1.344006 2.727310
H -3.938303 -1.629383 2.163684
H -1.242105 2.807781 -0.054422
H 0.655400 -2.685625 2.195951
H -2.489778 4.929788 -0.140141
H -4.095312 4.012155 -0.376096
H 1.087463 -3.200322 -0.428153
H 0.997674 1.346134 1.567677
H 3.265928 -3.193112 -1.692582
H 5.243465 0.878366 -1.092578
H 2.600855 3.217294 1.463705
H 4.726083 3.026011 0.141139


