%chk=000100367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100367

0 1
 O    4.725400      0.1119000      -1.564100    
 N    4.803800      0.2815000     -0.2049000    
 C    4.942100      -1.060800      0.4855000    
 C    5.989600       1.157400      0.1482000    
 C    3.537400      0.9496000      0.2555000    
 C    6.252900      -1.753900      0.1342000    
 C    7.316000      0.4975000     -0.2085000    
 C    7.450700     -0.8674000      0.4580000    
 C    2.309500      0.1100000     -6.3600004E-02
 C   0.9655000      0.7550000      0.2935000    
 C  -0.2831000     -5.6600001E-02 -6.4700000E-02
 C   -1.588800      0.6028000      0.3864000    
 C   -2.803800     -0.2053000     -7.7200003E-02
 C   -4.141500      0.4235000      0.3237000    
 C   -5.355400     -0.3969000     -0.1183000    
 C   -6.663600      0.3112000      0.2416000    
 C   -7.877700     -0.4883000     -0.2340000    
 C   -9.185100      0.2018000      0.1547000    
 C   -10.39380     -0.5727000     -0.3459000    
 H    4.859100     -0.8788000       1.562600    
 H    4.125900      -1.701400      0.1437000    
 H    5.858700       2.095000     -0.4031000    
 H    5.925200       1.354800       1.224400    
 H    3.632200       1.121800       1.333400    
 H    3.494500       1.915200     -0.2617000    
 H    6.331300      -2.696700      0.6869000    
 H    6.268000      -2.006100     -0.9331000    
 H    7.392800      0.3789000      -1.295900    
 H    8.144200       1.143700      0.1025000    
 H    8.374400      -1.354200      0.1260000    
 H    7.528000     -0.7386000       1.544600    
 H    2.339200     -0.8371000      0.4844000    
 H    2.291600     -0.1487000      -1.128900    
 H   0.9560000      0.9600000       1.371700    
 H   0.9023000       1.730100     -0.2060000    
 H  -0.3045000     -0.2072000      -1.151100    
 H  -0.2066000      -1.051600      0.3908000    
 H   -1.598500      0.6938000       1.478900    
 H   -1.647900       1.617800     -2.4400000E-02
 H   -2.744300      -1.217700      0.3413000    
 H   -2.773800     -0.3117000      -1.168800    
 H   -4.168400      0.5484000       1.413400    
 H   -4.204600       1.428600     -0.1115000    
 H   -5.323900      -1.384800      0.3566000    
 H   -5.311500     -0.5571000      -1.202400    
 H   -6.681300       1.308500     -0.2147000    
 H   -6.716500      0.4515000       1.328100    
 H   -7.850800      -1.494200      0.2025000    
 H   -7.833600     -0.6077000      -1.323400    
 H   -9.245100      0.2991000       1.244800    
 H   -9.210300       1.214800     -0.2635000    
 H   -11.31760     -6.2300000E-02 -5.6200001E-02
 H   -10.38080     -0.6580000      -1.437200    
 H   -10.41590      -1.581900      7.7699997E-02


%chk=000100367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100367

0 1
O 4.670656 0.118921 -1.470504
N 4.831318 0.194996 -0.054772
C 5.226434 -1.187899 0.510757
C 5.946724 1.206999 0.286702
C 3.522621 0.688331 0.601969
C 6.546990 -1.650987 -0.118463
C 7.273408 0.763057 -0.342238
C 7.685696 -0.641737 0.153856
C 2.309083 -0.159856 0.203211
C 0.984129 0.595945 0.455168
C -0.264339 -0.241301 0.097785
C -1.589455 0.518896 0.329783
C -2.845217 -0.308752 -0.025128
C -4.166571 0.456487 0.212815
C -5.426766 -0.364656 -0.141723
C -6.745404 0.403397 0.103020
C -8.008432 -0.414412 -0.249434
C -9.325609 0.355755 -0.000987
C -10.583231 -0.469122 -0.350859
H 5.301663 -1.109461 1.614547
H 4.401940 -1.864828 0.240574
H 5.606050 2.166349 -0.135651
H 6.023216 1.288864 1.390545
H 3.670630 0.723860 1.700334
H 3.396104 1.716052 0.218346
H 6.798238 -2.653194 0.278031
H 6.377693 -1.740598 -1.206877
H 7.129628 0.748440 -1.437664
H 8.050163 1.514007 -0.102461
H 8.612423 -0.967342 -0.354092
H 7.907412 -0.607165 1.241829
H 2.291935 -1.117809 0.760111
H 2.427351 -0.388755 -0.873639
H 0.918675 0.908666 1.519344
H 0.980863 1.528771 -0.146212
H -0.199858 -0.555596 -0.964295
H -0.266748 -1.174518 0.699296
H -1.648874 0.835301 1.392643
H -1.585333 1.452036 -0.271738
H -2.850038 -1.243583 0.573961
H -2.789104 -0.622037 -1.088651
H -4.221418 0.769149 1.276937
H -4.159862 1.392149 -0.384912
H -5.432947 -1.301945 0.453474
H -5.375145 -0.674024 -1.206751
H -6.738707 1.340732 -0.492166
H -6.795773 0.713162 1.168203
H -8.016566 -1.352451 0.344660
H -7.961376 -0.722877 -1.315027
H -9.369814 0.666387 1.063092
H -9.317959 1.291336 -0.596992
H -11.510148 0.104551 -0.165436
H -10.577627 -0.767177 -1.416514
H -10.631125 -1.394012 0.254690


