%chk=000041189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041189

0 1
 O    1.041000     -0.8959000      -1.789300    
 O   -3.294100      -3.358000      0.1644000    
 N    5.094100     -0.3346000      0.4236000    
 N    1.402300     -0.8200000      0.5124000    
 N   -4.120400      -1.180600      0.3057000    
 C    3.688700      5.0000001E-02  0.4010000    
 C    2.801500      -1.181800      0.5047000    
 C    5.399400      -1.240800     -0.6852000    
 C    5.954300      0.8488000      0.3625000    
 C  -0.7478000     -0.3327000     -0.3742000    
 C   -1.337800      0.9959000     -0.2877000    
 C   -2.771700      0.8279000     -2.0999999E-03
 C   -2.964100     -0.5091000      6.4999998E-02
 C   0.6316000     -0.7054000     -0.6375000    
 C   -1.723600      -1.225500     -0.1628000    
 C    6.845900      -1.702600     -0.6344000    
 C    5.654900       1.804800       1.504800    
 C  -0.6733000       2.150100     -0.4440000    
 C   -3.792400       1.832500      0.1771000    
 C   -1.188500       3.497900     -0.3738000    
 C   -3.633800       3.161000      0.1162000    
 C   -2.436200       3.923700     -0.1379000    
 C   -4.214400      -2.565700      0.3535000    
 C   -5.615500      -3.040100      0.6380000    
 H    3.430200      0.6835000       1.256700    
 H    3.441600      0.6190000     -0.5055000    
 H    2.997100      -1.730800       1.432500    
 H    2.918200      -1.869800     -0.3353000    
 H    4.823900      -2.167100     -0.6150000    
 H    5.185000     -0.7867000      -1.660700    
 H    7.005600      0.5674000      0.4805000    
 H    5.857000       1.377200     -0.5943000    
 H   0.9732000     -0.6349000       1.414900    
 H   -1.516200      -2.279000     -0.1773000    
 H    7.545300     -0.9237000     -0.9532000    
 H    7.128100      -2.047300      0.3664000    
 H    6.986900      -2.545500      -1.320700    
 H    4.728600       2.366600       1.349700    
 H    5.603000       1.285900       2.468200    
 H    6.457700       2.547400       1.579400    
 H   0.3954000       2.112100     -0.6531000    
 H   -4.799200       1.477000      0.3842000    
 H   -4.963100     -0.6349000      0.4608000    
 H  -0.4304000       4.262500     -0.5411000    
 H   -4.519400       3.774500      0.2776000    
 H   -2.596200       5.001400     -0.1315000    
 H   -5.593800      -4.091400      0.9380000    
 H   -6.224400      -2.933500     -0.2637000    
 H   -6.059700      -2.455700       1.448800    


%chk=000041189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041189

0 1
O 1.449424 0.847761 -1.468314
O -2.766876 -2.484900 2.213232
N 5.161373 -0.430778 0.512883
N 1.434230 -0.965588 -0.024684
N -3.896731 -0.780687 1.071354
C 3.716811 -0.342952 0.835176
C 2.881607 -1.180743 -0.168950
C 5.562976 0.546455 -0.538977
C 6.045335 -0.400022 1.707288
C -0.671160 0.196100 -0.451815
C -1.535163 1.182844 -1.035102
C -2.918822 0.924847 -0.507251
C -2.812169 -0.208831 0.368280
C 0.790846 0.069009 -0.690737
C -1.460305 -0.639895 0.398157
C 6.773621 0.074185 -1.366045
C 6.033236 -1.723881 2.495553
C -1.140167 2.194052 -1.930821
C -4.096511 1.638464 -0.795747
C -1.932215 3.199425 -2.543279
C -4.284252 2.757491 -1.639342
C -3.317284 3.445942 -2.413770
C -3.842424 -1.868381 1.945700
C -5.180634 -2.267903 2.560856
H 3.546839 -0.726991 1.857921
H 3.343684 0.707769 0.814433
H 3.110767 -2.252515 -0.036014
H 3.161008 -0.893828 -1.196868
H 4.699700 0.690354 -1.214571
H 5.777072 1.550480 -0.092482
H 7.076344 -0.212063 1.355465
H 5.784789 0.449586 2.389048
H 0.907385 -1.566665 0.608397
H -1.136784 -1.488741 1.000076
H 7.671709 -0.071094 -0.737949
H 6.545337 -0.887129 -1.858426
H 7.024927 0.820591 -2.142910
H 5.026208 -1.962447 2.884250
H 6.351231 -2.555313 1.842603
H 6.720172 -1.667032 3.360880
H -0.068540 2.180061 -2.171462
H -5.017655 1.290594 -0.300716
H -4.814434 -0.357341 0.925480
H -1.389899 3.880967 -3.211750
H -5.310176 3.142540 -1.702627
H -3.702755 4.294507 -2.996915
H -5.099453 -2.219372 3.660501
H -5.398988 -3.317106 2.296544
H -6.028735 -1.637827 2.239748


