%chk=000120864.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120864

0 1
 O   -1.524200       1.056400       2.120000    
 N   -3.586700       1.122500      0.1183000    
 C   -4.520200       1.866600     -0.7267000    
 C   -3.894000     -0.2864000     -0.1258000    
 C   -5.826800       1.109200     -0.5413000    
 C   -5.415300     -0.3049000     -0.1429000    
 C   -2.197300       1.446000     -0.1697000    
 C   -1.261900      0.6764000      0.7679000    
 C   0.1780000       1.021500      0.4802000    
 C    1.186900      0.1778000      0.1674000    
 C    2.537200      0.7651000     -3.3399999E-02
 C   0.9322000      -1.273300      2.5599999E-02
 C    2.899300       1.185500      -1.296400    
 C    1.059600      -2.089200       1.134100    
 C    3.385200      0.8711000       1.049400    
 C   0.5739000      -1.774900      -1.211700    
 C    4.166700       1.736500      -1.485100    
 C   0.8200000      -3.456900       1.000600    
 C    4.652600       1.422100      0.8605000    
 C   0.3342000      -3.142500      -1.345100    
 C    5.043300       1.854800     -0.4067000    
 C   0.4572000      -3.983400     -0.2389000    
 H   -4.223400       1.839100      -1.783100    
 H   -4.613600       2.912500     -0.4180000    
 H   -3.522300     -0.9519000      0.6592000    
 H   -3.507400     -0.6293000      -1.094200    
 H   -6.426800       1.114000      -1.456900    
 H   -6.428200       1.559200      0.2573000    
 H   -5.814300     -0.5401000      0.8509000    
 H   -5.800000      -1.051800     -0.8447000    
 H   -1.945600       1.227700      -1.216300    
 H   -2.056500       2.524500     -1.7200001E-02
 H   -1.422500     -0.4010000      0.6998000    
 H   0.4094000       2.084200      0.5713000    
 H   -1.458000       2.024700       2.183200    
 H    2.224800       1.099000      -2.143600    
 H    1.340000      -1.690900       2.105300    
 H    3.091500      0.5382000       2.040900    
 H   0.4728000      -1.130000      -2.080300    
 H    4.471000       2.073600      -2.471700    
 H   0.9152000      -4.111500       1.861800    
 H    5.335300       1.514600       1.700200    
 H   5.0999999E-02  -3.552700      -2.310000    
 H    6.030200       2.284000     -0.5537000    
 H   0.2702000      -5.048200     -0.3429000    


%chk=000120864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120864

0 1
O -1.690907 0.468380 1.657578
N -3.684445 1.089591 -0.008730
C -4.691490 2.160467 -0.245695
C -4.323913 -0.165654 -0.499048
C -6.033258 1.499084 0.160509
C -5.794831 -0.040410 -0.022930
C -2.323069 1.359932 -0.525216
C -1.314474 0.444145 0.223600
C 0.105708 0.918979 0.063779
C 1.222672 0.126267 -0.037531
C 2.557207 0.763657 -0.280748
C 1.173520 -1.362777 0.118509
C 2.681838 1.907726 -1.118619
C 0.389301 -1.966965 1.142519
C 3.733474 0.257025 0.339529
C 1.931676 -2.205579 -0.742451
C 3.930595 2.536104 -1.311039
C 0.359518 -3.371562 1.287226
C 4.982626 0.885763 0.149329
C 1.892648 -3.608922 -0.600833
C 5.088406 2.030065 -0.675216
C 1.106328 -4.199269 0.416997
H -4.716233 2.458311 -1.322276
H -4.446585 3.056885 0.350532
H -3.810590 -1.051748 -0.087770
H -4.271351 -0.225224 -1.613325
H -6.867081 1.871413 -0.459078
H -6.271039 1.726292 1.213597
H -5.937483 -0.567936 0.935333
H -6.488871 -0.486844 -0.755714
H -2.240048 1.209098 -1.626977
H -2.082355 2.416255 -0.299621
H -1.411668 -0.595888 -0.152647
H 0.240078 2.010026 0.064731
H -2.677527 0.695486 1.619504
H 1.796038 2.287489 -1.640570
H -0.181340 -1.327899 1.827000
H 3.660441 -0.623442 0.986979
H 2.546798 -1.754461 -1.529373
H 4.003738 3.412032 -1.965870
H -0.242439 -3.818535 2.086701
H 5.872810 0.485084 0.647440
H 2.476110 -4.240960 -1.280097
H 6.059251 2.515227 -0.826484
H 1.082915 -5.288806 0.534068


