%chk=000104006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104006

0 1
 O    7.734100     -0.8335000     -0.1129000    
 O    4.544600       2.461100     -0.6824000    
 O    1.779900       2.467700      0.4113000    
 O   -8.575200      0.1267000      -1.879800    
 O   -8.798400      0.9916000      0.1255000    
 N    5.896300      0.5630000     -0.4827000    
 N    3.281700      -1.997500      0.2234000    
 N  -0.2076000       1.322900     -0.1321000    
 N   -2.073100     -0.7151000     -0.7548000    
 N   -2.721900     -0.7529000      0.3160000    
 N   -8.104300      0.4324000     -0.7577000    
 N   -3.889400      0.8076000       3.353600    
 C    4.901600     -0.4594000     -0.7461000    
 C    4.260700     -0.9813000      0.5305000    
 C    7.939200       1.563400      2.1900000E-02
 C    6.888800       2.645900     -0.1625000    
 C    7.210000      0.2689000     -0.1934000    
 C    5.617900       1.911000     -0.4777000    
 C    3.718900      -3.392800      0.1569000    
 C    1.941000      -1.670100     -2.1400001E-02
 C    1.524400     -0.3405000      4.2900000E-02
 C    3.377400      -4.109200       1.449200    
 C    1.022900      -2.674600     -0.3285000    
 C   0.1900000     -1.5000000E-02 -0.2002000    
 C  -0.3117000      -2.349400     -0.5713000    
 C  -0.7279000      -1.019500     -0.5075000    
 C   0.5795000       2.443200      0.1600000    
 C  -0.2302000       3.715300      0.1342000    
 C   -4.071200     -0.4474000      6.8499997E-02
 C   -4.861300      0.1746000       1.035400    
 C   -4.617100     -0.7775000      -1.172100    
 C   -6.197600      0.4663000      0.7618000    
 C   -6.743900      0.1359000     -0.4784000    
 C   -5.953700     -0.4860000      -1.445400    
 C   -4.324600      0.5242000       2.315800    
 H    5.388200      -1.281500      -1.284700    
 H    4.141100     -3.5399999E-02  -1.411600    
 H    5.053100      -1.429100       1.147500    
 H    3.885300     -0.1779000       1.174000    
 H    8.745000       1.659900     -0.7117000    
 H    8.362500       1.586000       1.030400    
 H    7.144800       3.313700     -0.9904000    
 H    6.758200       3.234200      0.7505000    
 H    4.809000      -3.428500      3.0400001E-02
 H    3.327200      -3.916000     -0.7225000    
 H    2.249100      0.4231000      0.2535000    
 H    3.741200      -5.141200       1.413000    
 H    2.303000      -4.142400       1.649200    
 H    3.853600      -3.617200       2.304600    
 H    1.278500      -3.725800     -0.3987000    
 H   -1.019400      -3.138900     -0.8114000    
 H   -1.194300       1.489400     -0.3196000    
 H   -1.058200       3.643600      0.8451000    
 H  -0.6255000       3.880200     -0.8720000    
 H   0.4023000       4.563000      0.4119000    
 H   -4.048000      -1.284300      -1.947600    
 H   -6.797700      0.9519000       1.529100    
 H   -6.347300     -0.7623000      -2.420300    


%chk=000104006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104006

0 1
O 7.537608 -1.255318 0.164904
O 5.172776 2.177973 -1.970134
O 1.844319 2.885959 0.200116
O -8.718652 1.743820 -1.060639
O -9.377692 -0.380950 -0.537068
N 6.095561 0.315152 -0.842653
N 3.282235 -1.738550 0.656417
N -0.174191 1.707929 -0.001726
N -2.093614 -0.150365 0.037943
N -3.052152 -1.069007 0.103527
N -8.467971 0.522003 -0.713141
N -4.852104 -4.026089 0.774184
C 4.886445 -0.518659 -0.821707
C 4.379315 -0.752161 0.630845
C 8.359898 1.001166 -0.560994
C 7.571513 2.146612 -1.242200
C 7.343959 -0.124274 -0.347794
C 6.144686 1.617251 -1.419424
C 3.693749 -3.150894 0.869579
C 1.953607 -1.366889 0.509653
C 1.598488 0.005152 0.304680
C 3.606289 -3.586892 2.349100
C 0.900406 -2.357583 0.567145
C 0.252364 0.378589 0.172438
C -0.428597 -1.986967 0.411143
C -0.797923 -0.620287 0.206582
C 0.590313 2.877598 0.018347
C -0.201828 4.160585 -0.206004
C -4.357869 -0.581657 -0.108620
C -5.409166 -1.548799 0.070884
C -4.707418 0.747722 -0.496279
C -6.759381 -1.183712 -0.126592
C -7.059103 0.139819 -0.505128
C -6.043743 1.111591 -0.694143
C -5.082456 -2.896829 0.455973
H 5.122263 -1.495898 -1.281577
H 4.123384 -0.004611 -1.430843
H 5.212787 -1.151788 1.232686
H 4.065006 0.201884 1.084649
H 9.191147 0.620283 -1.178777
H 8.790498 1.287771 0.413639
H 7.974319 2.427420 -2.229952
H 7.535511 3.068754 -0.637006
H 4.737209 -3.245418 0.519134
H 3.086439 -3.814823 0.229507
H 2.342360 0.799657 0.252469
H 3.939951 -4.634800 2.456059
H 2.573810 -3.510245 2.731096
H 4.254066 -2.956560 2.983885
H 1.137319 -3.409531 0.740126
H -1.231542 -2.729255 0.449010
H -1.196074 1.773504 -0.112112
H -1.293360 4.006485 -0.251359
H 0.130841 4.626222 -1.150415
H 0.027998 4.871193 0.605653
H -3.903150 1.472996 -0.641748
H -7.568666 -1.905349 0.007904
H -6.330290 2.123567 -0.992541


