%chk=000045253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045253

0 1
 O  -0.5416000       1.033600     -3.8199998E-02
 O   0.2414000       3.190200      0.1489000    
 N   -5.142200     -0.4643000      0.2262000    
 C   -6.351900     -0.3143000       1.057500    
 C   -7.152900      -1.630500       1.048000    
 C   -5.431000     -0.8590000      -1.157100    
 C   -7.481500      -2.104400     -0.3645000    
 C   -6.215400      -2.170000      -1.209300    
 C   -4.269400      0.7057000      0.2670000    
 C   -7.250500      0.8789000      0.6973000    
 C   -2.815200      0.2884000      7.3500000E-02
 C   -1.877300       1.486600      0.1332000    
 C    7.722900      -1.434900      0.3689000    
 C    6.350400     -0.7570000      0.5547000    
 C    5.646800     -0.3350000     -0.7507000    
 C    4.295900      0.2668000     -0.5599000    
 C    7.560000      -2.707400     -0.4677000    
 C    8.387600      -1.779800       1.702400    
 C   0.4246000       1.993300     -9.3000000E-03
 C    1.769100       1.393300     -0.2003000    
 C    4.165000       1.644500     -0.3846000    
 C    3.163400     -0.5477000     -0.5554000    
 C    2.901600       2.207600     -0.2049000    
 C    1.900100      1.5699999E-02 -0.3755000    
 H   -6.026300     -0.1649000       2.096000    
 H   -6.565800      -2.409000       1.553800    
 H   -8.079100      -1.518500       1.623900    
 H   -5.988600     -7.5300001E-02  -1.685000    
 H   -4.504900      -1.016100      -1.720600    
 H   -7.954400      -3.092100     -0.3253000    
 H   -8.204100      -1.425300     -0.8314000    
 H   -6.475900      -2.405000      -2.247600    
 H   -5.580400      -2.989100     -0.8478000    
 H   -4.564900       1.461000     -0.4724000    
 H   -4.334000       1.189100       1.250800    
 H   -6.716700       1.828000      0.8103000    
 H   -8.118300      0.9167000       1.365200    
 H   -7.626500      0.8261000     -0.3286000    
 H   -2.520500     -0.4375000      0.8428000    
 H   -2.663000     -0.2190000     -0.8861000    
 H   -2.126600       2.197700     -0.6633000    
 H   -1.969700       1.988100       1.103800    
 H    8.384900     -0.7468000     -0.1716000    
 H    6.480500      0.1323000       1.185700    
 H    5.689200      -1.429900       1.117400    
 H    6.290500      0.3701000      -1.293000    
 H    5.538200      -1.196200      -1.419800    
 H    6.801300      -3.373100     -4.2399999E-02
 H    8.504000      -3.262200     -0.5128000    
 H    7.282300      -2.480000      -1.501000    
 H    9.372400      -2.231400       1.543900    
 H    7.778200      -2.484100       2.278700    
 H    8.526000     -0.8781000       2.308100    
 H    5.040000       2.289200     -0.3840000    
 H    3.252700      -1.622700     -0.6882000    
 H    2.821100       3.282900     -6.9600001E-02
 H    1.045900     -0.6554000     -0.3781000    


%chk=000045253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045253

0 1
O -0.568791 0.884476 0.115595
O 0.261247 3.044685 0.397800
N -5.340700 -0.405302 0.239827
C -6.613796 -0.189940 0.997220
C -7.427060 -1.509783 1.003687
C -5.549579 -0.871398 -1.153633
C -7.682991 -2.046431 -0.423738
C -6.343447 -2.194432 -1.178886
C -4.376618 0.712193 0.355862
C -7.464613 1.021182 0.509391
C -2.909391 0.246247 0.199182
C -1.939246 1.417386 0.358758
C 7.931833 -1.348419 0.291387
C 6.475953 -0.839955 0.466466
C 5.772391 -0.442828 -0.863559
C 4.387868 0.137372 -0.627536
C 8.003353 -2.660474 -0.527144
C 8.598030 -1.538988 1.675212
C 0.466529 1.826523 0.160638
C 1.797098 1.213081 -0.105973
C 4.212746 1.524304 -0.372541
C 3.239761 -0.698908 -0.614181
C 2.936601 2.058999 -0.114656
C 1.957496 -0.174324 -0.357793
H -6.312284 0.020999 2.043886
H -6.850938 -2.265743 1.571756
H -8.383623 -1.347379 1.537345
H -6.082043 -0.106394 -1.776953
H -4.561009 -1.027985 -1.621877
H -8.207659 -3.019543 -0.373977
H -8.349311 -1.355915 -0.979043
H -6.516549 -2.500895 -2.228803
H -5.733368 -2.980971 -0.693793
H -4.580381 1.529661 -0.383627
H -4.500589 1.160685 1.361915
H -6.874916 1.955972 0.529999
H -8.337836 1.160459 1.173361
H -7.842905 0.881366 -0.518702
H -2.697949 -0.531186 0.954808
H -2.751879 -0.211211 -0.795082
H -2.134611 2.228186 -0.368541
H -1.970232 1.855939 1.373930
H 8.499051 -0.566934 -0.259535
H 6.479869 0.042132 1.138427
H 5.874697 -1.619454 0.978731
H 6.409091 0.296194 -1.389458
H 5.697539 -1.331558 -1.517597
H 7.410513 -3.457026 -0.036385
H 9.046929 -3.017901 -0.605804
H 7.618297 -2.533259 -1.555049
H 9.648586 -1.868712 1.571179
H 8.060574 -2.307097 2.264481
H 8.591493 -0.599584 2.259003
H 5.086711 2.187032 -0.384508
H 3.356266 -1.771214 -0.813603
H 2.794908 3.127823 0.077537
H 1.076283 -0.821952 -0.353406


