%chk=000104590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104590

0 1
 O    2.703100     -0.9502000      -1.462500    
 N   0.7749000     -1.6799999E-02 -0.5121000    
 N    4.341600      9.3500003E-02  0.1900000    
 C   4.0800001E-02   1.235600     -5.9200000E-02
 C  -9.3000000E-03  -1.316600     -0.6244000    
 C   -1.429700       1.223700     -0.5714000    
 C   -2.159400     -2.9800000E-02 -0.2311000    
 C   -1.479300      -1.182000     -0.2591000    
 C   0.6082000       2.554500     -0.6415000    
 C   4.6300001E-02   1.316600       1.482900    
 C   0.5604000      -2.371000      0.3550000    
 C   1.2700000E-02  -1.858500      -2.069200    
 C    2.172100     -0.1133000     -0.7215000    
 C   -3.605800      2.7100001E-02  6.9100000E-02
 C    3.109200      0.8247000     -9.7000003E-03
 C   -4.186300     -0.9270000      0.9082000    
 C   -4.398300       1.035300     -0.4852000    
 C    4.114700      -1.110600      0.9982000    
 C    5.357600      0.9386000      0.8294000    
 C   -5.551100     -0.8732000       1.191300    
 C   -5.763000       1.089100     -0.2019000    
 C    5.406800      -1.881200       1.210000    
 C    5.673300       2.156800     -2.1800000E-02
 C   -6.339500      0.1348000      0.6364000    
 H   -1.450500       1.345800      -1.663800    
 H   -1.943900       2.095000     -0.1442000    
 H   -2.001100      -2.121100     -8.3499998E-02
 H  -9.0000004E-02   3.389000     -0.5039000    
 H    1.532000       2.865000     -0.1489000    
 H   0.8093000       2.456100      -1.714100    
 H  -0.3100000      0.3876000       1.940500    
 H    1.032500       1.515800       1.902700    
 H  -0.6063000       2.126000       1.831400    
 H  -7.5999998E-02  -3.262500      0.4144000    
 H    1.543300      -2.727100      3.6499999E-02
 H   0.6618000      -1.961600       1.366700    
 H  -0.6869000      -2.694300      -2.196500    
 H  -0.2679000      -1.077400      -2.785900    
 H   0.9935000      -2.239600      -2.365300    
 H    2.712700       1.174600      0.9386000    
 H    3.251500       1.666500     -0.6922000    
 H   -3.603800      -1.713100       1.380900    
 H   -3.987600       1.783400      -1.158000    
 H    3.680900     -0.8593000       1.975100    
 H    3.436000      -1.819500      0.5259000    
 H    5.051800       1.255700       1.834300    
 H    6.308800      0.4061000      0.9240000    
 H   -5.999400      -1.612700       1.848500    
 H   -6.378000       1.871300     -0.6372000    
 H    5.960600      -2.014800      0.2744000    
 H    6.060000      -1.413400       1.953000    
 H    5.175700      -2.881700       1.594000    
 H    5.869600       1.883100      -1.064100    
 H    4.873300       2.903000      4.6000001E-03
 H    6.573700       2.650100      0.3617000    
 H   -7.402000      0.1768000      0.8573000    


%chk=000104590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104590

0 1
O 2.637727 -1.290455 -1.004031
N 0.728317 -0.141412 -0.301677
N 4.437844 0.226533 0.428809
C 0.016710 1.113616 0.187193
C -0.093156 -1.401443 -0.619585
C -1.407302 1.189844 -0.457172
C -2.237500 -0.057128 -0.242250
C -1.569515 -1.238632 -0.299607
C 0.708170 2.428806 -0.277624
C -0.127345 1.083755 1.734785
C 0.417082 -2.607020 0.228225
C -0.008421 -1.724462 -2.148683
C 2.125978 -0.284791 -0.419541
C -3.702317 0.045506 -0.005945
C 3.081305 0.754682 0.236770
C -4.417037 -0.967203 0.697214
C -4.437808 1.167310 -0.483378
C 4.522426 -0.869682 1.427688
C 5.441453 1.298710 0.638099
C -5.809054 -0.871501 0.896278
C -5.832104 1.265048 -0.283705
C 5.702425 -1.822568 1.158622
C 5.776262 2.082094 -0.647050
C -6.526941 0.245692 0.405873
H -1.290130 1.399302 -1.540502
H -1.907763 2.069717 -0.013463
H -2.106182 -2.191638 -0.211448
H -0.033722 3.246492 -0.234698
H 1.549710 2.732478 0.361378
H 1.055329 2.344472 -1.322953
H -0.745461 0.226719 2.051789
H 0.857177 0.999105 2.226902
H -0.611131 2.011596 2.093218
H -0.214476 -3.489517 0.017148
H 1.457665 -2.857889 -0.020709
H 0.339844 -2.378198 1.306979
H -0.636707 -2.604562 -2.379085
H -0.384240 -0.871349 -2.741026
H 1.033217 -1.936576 -2.431714
H 2.633893 1.121431 1.194762
H 3.157470 1.625956 -0.435329
H -3.871071 -1.821654 1.112985
H -3.922105 1.960036 -1.037082
H 4.581503 -0.466265 2.472122
H 3.590802 -1.457344 1.360354
H 5.125651 2.012919 1.444605
H 6.366914 0.815771 0.999424
H -6.334648 -1.660795 1.445835
H -6.376109 2.134851 -0.669144
H 5.599328 -2.248320 0.146528
H 6.679160 -1.308323 1.221073
H 5.711490 -2.646346 1.897256
H 6.104849 1.383710 -1.435586
H 4.908910 2.648198 -1.034270
H 6.585285 2.811216 -0.453548
H -7.608050 0.322408 0.565693


