%chk=000052022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052022

1 1
 O   0.5465000      0.3918000       1.726200    
 N   -2.211000      -1.079700      -1.388400    
 C   -1.383900     -0.1509000     -0.5113000    
 C  -5.0299998E-02 -0.8813000     -0.2036000    
 C   -1.385800      -1.507500      -2.593500    
 C   -2.613800      -2.309300     -0.5871000    
 C    1.082700     -2.0700000E-02  0.4545000    
 C   -3.460700     -0.3512000      -1.861900    
 C   -2.173700      0.2950000      0.6981000    
 C  -0.9886000     -0.2812000      -3.385900    
 C   -3.435400      -3.228500      -1.464200    
 C    2.375100     -0.8198000      0.6664000    
 C    1.405900       1.265800     -0.3299000    
 C   -2.972300       1.422900      0.6075000    
 C   -2.082700     -0.4331000       1.872800    
 C    3.403800     -0.2295000       1.360300    
 C    1.958500       1.142100      -1.578300    
 C    2.449900      -2.092300      0.1531000    
 C    1.125300       2.471600      0.2588000    
 C   -3.700800       1.834400       1.723600    
 C   -2.811300     -2.1700000E-02   2.988800    
 C   -3.620500       1.112100       2.914200    
 C    4.578900     -0.9560000       1.552600    
 C    2.251300       2.306700      -2.288100    
 C    3.624900      -2.818800      0.3457000    
 C    1.417700       3.636100     -0.4511000    
 C    4.689500      -2.250700       1.045500    
 C    1.980700       3.553700      -1.724700    
 H   -1.170300      0.7518000      -1.092000    
 H   0.4021000      -1.199900      -1.137900    
 H  -0.2058000      -1.765200      0.4197000    
 H   -2.044600      -2.081200      -3.255500    
 H  -0.5796000      -2.196000      -2.330900    
 H   -1.730000      -2.850400     -0.2448000    
 H   -3.237300      -2.012800      0.2586000    
 H   -3.214400      0.6790000      -2.133200    
 H   -3.863000     -0.8525000      -2.748000    
 H   -4.217200     -0.3633000      -1.071200    
 H  -0.4675000     -0.6163000      -4.291600    
 H   -1.835900      0.3105000      -3.741400    
 H  -0.2874000      0.3769000      -2.878800    
 H   -3.794800      -4.061500     -0.8468000    
 H   -4.330600      -2.766000      -1.885900    
 H   -2.855700      -3.694300      -2.265500    
 H   -3.029200       2.014300     -0.3009000    
 H   -1.489000      -1.333700       1.976300    
 H  -0.1716000       1.028200       1.610000    
 H    3.329800      0.7736000       1.768000    
 H    2.173800      0.1802000      -2.031600    
 H    1.668300      -2.599900     -0.3958000    
 H   0.7243000       2.619800       1.253200    
 H   -4.326200       2.720500       1.667500    
 H   -2.753000     -0.5867000       3.914600    
 H   -4.187600       1.432500       3.783100    
 H    5.407200     -0.5144000       2.099000    
 H    2.689300       2.242400      -3.279900    
 H    3.712000      -3.827400     -4.8099998E-02
 H    1.215000       4.607900     -1.0200000E-02
 H    5.604200      -2.816700       1.196000    
 H    2.210000       4.460400      -2.276800    


%chk=000052022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052022

1 1
O 0.684598 0.441381 1.874985
N -2.242264 -1.059580 -1.428913
C -1.330980 -0.209673 -0.396933
C -0.016984 -0.954797 -0.069722
C -1.546998 -1.178082 -2.814334
C -2.489645 -2.483866 -0.867250
C 1.100422 -0.030804 0.542889
C -3.578665 -0.348332 -1.611752
C -2.144531 0.237646 0.816217
C -1.224750 0.145165 -3.517788
C -3.449710 -3.366530 -1.676530
C 2.393916 -0.829879 0.810975
C 1.392956 1.155531 -0.414869
C -2.673796 1.558513 0.833961
C -2.368084 -0.597723 1.947037
C 3.319972 -0.288134 1.739072
C 2.013866 0.913563 -1.668860
C 2.720649 -2.038217 0.148482
C 1.059988 2.487363 -0.066401
C -3.429650 2.024005 1.931592
C -3.130521 -0.135591 3.041313
C -3.669864 1.172213 3.034635
C 4.540682 -0.943148 2.001126
C 2.277462 1.975541 -2.561301
C 3.945780 -2.695043 0.410027
C 1.324610 3.553084 -0.959651
C 4.861115 -2.149765 1.335626
C 1.926860 3.301693 -2.212555
H -1.088094 0.687609 -0.992027
H 0.396941 -1.386171 -0.996408
H -0.176441 -1.778595 0.647171
H -2.236325 -1.775435 -3.433510
H -0.633738 -1.775438 -2.661157
H -1.499535 -2.961682 -0.794504
H -2.881700 -2.334379 0.151242
H -3.403296 0.719425 -1.799558
H -4.105977 -0.792145 -2.468559
H -4.178635 -0.458473 -0.698213
H -0.817909 -0.102585 -4.514687
H -2.118212 0.768843 -3.685661
H -0.453635 0.739051 -3.001192
H -3.536543 -4.330468 -1.144061
H -4.467357 -2.948829 -1.745095
H -3.086010 -3.598166 -2.691166
H -2.476789 2.232698 -0.009336
H -1.912804 -1.591987 2.007023
H -0.204691 0.877707 1.821728
H 3.067211 0.636856 2.264597
H 2.341656 -0.100169 -1.929096
H 2.035462 -2.499397 -0.572467
H 0.642376 2.706020 0.922210
H -3.821705 3.045988 1.930132
H -3.286496 -0.786862 3.907108
H -4.254271 1.529647 3.888473
H 5.242346 -0.512993 2.723707
H 2.778251 1.774066 -3.514646
H 4.182312 -3.630861 -0.108008
H 1.078488 4.579570 -0.666700
H 5.809844 -2.657861 1.538007
H 2.144037 4.128284 -2.897126


