%chk=000050715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050715

0 1
 O    1.721100     -0.8508000     -2.4000001E-03
 O    3.232400      -2.439600     -0.7034000    
 N   -1.763800      -2.036800      0.1840000    
 N    6.826000       2.776600      0.2550000    
 C   -3.021900      -1.350400      0.4750000    
 C   -3.259900     -0.2054000     -0.5083000    
 C  -0.6381000      -1.109600      0.2947000    
 C   -4.569900      0.5086000     -0.2800000    
 C   0.6600000      -1.790800     -0.1085000    
 C   -1.580600      -3.172900       1.086500    
 C   -5.708600      6.5300003E-02 -0.9344000    
 C   -4.611200       1.594800      0.5802000    
 C   -6.919300      0.7249000     -0.7233000    
 C   -5.822100       2.254200      0.7913000    
 C   -6.976100       1.819200      0.1395000    
 C    2.960800      -1.308500     -0.3314000    
 C    3.975800     -0.2359000     -0.1779000    
 C    5.269000     -0.5841000      0.1541000    
 C    3.594300       1.076100     -0.3716000    
 C    5.861900       1.757700      0.1085000    
 C    6.222400      0.4237000      0.2991000    
 C    4.547700       2.083900     -0.2268000    
 H   -3.036000     -0.9717000       1.506100    
 H   -3.854300      -2.061200      0.3885000    
 H   -3.227900     -0.5796000      -1.540700    
 H   -2.487300      0.5677000     -0.4489000    
 H  -0.5468000     -0.6906000       1.305800    
 H  -0.7260000     -0.2568000     -0.3837000    
 H   0.5971000      -2.154100      -1.141700    
 H   0.9029000      -2.627300      0.5541000    
 H   -1.367200      -2.861300       2.115500    
 H   -2.485200      -3.793000       1.108900    
 H  -0.7894000      -3.845500      0.7422000    
 H   -5.674600     -0.7874000      -1.606400    
 H   -3.718900       1.939700       1.095000    
 H   -7.818100      0.3859000      -1.230300    
 H   -5.866700       3.105900       1.463800    
 H   -7.919000       2.332500      0.3042000    
 H    5.560900      -1.618600      0.3084000    
 H    2.581400       1.355100     -0.6460000    
 H    7.242900      0.1568000      0.5616000    
 H    4.255200       3.119600     -0.3806000    
 H    6.565300       3.743900      0.1163000    
 H    7.779000       2.540700      0.4975000    


%chk=000050715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050715

0 1
O 1.731250 -0.674948 0.072370
O 3.028470 -2.110990 -1.231854
N -1.767945 -1.900436 0.602578
N 7.281528 2.536948 0.422947
C -3.050168 -1.162210 0.689796
C -3.388675 -0.399735 -0.621347
C -0.569671 -1.034085 0.709876
C -4.713447 0.339713 -0.512225
C 0.571686 -1.576836 -0.159650
C -1.708329 -3.066314 1.509847
C -5.920722 -0.259849 -0.955478
C -4.779401 1.627791 0.080826
C -7.159023 0.406702 -0.812157
C -6.014276 2.298898 0.226971
C -7.210319 1.689392 -0.218750
C 2.937361 -1.062234 -0.540342
C 4.034653 -0.108452 -0.269089
C 5.316329 -0.371685 -0.825632
C 3.860365 1.058514 0.524151
C 6.217970 1.670232 0.196341
C 6.392621 0.497329 -0.600750
C 4.930516 1.935477 0.755879
H -3.068232 -0.443521 1.547621
H -3.855019 -1.897010 0.879748
H -3.410865 -1.138623 -1.442661
H -2.574240 0.314523 -0.849117
H -0.214426 -0.936322 1.763976
H -0.820493 -0.016719 0.361556
H 0.302121 -1.562796 -1.229967
H 0.858758 -2.608998 0.109562
H -1.747901 -2.786341 2.592571
H -2.551224 -3.747246 1.297656
H -0.774146 -3.630516 1.342276
H -5.886890 -1.252581 -1.421994
H -3.854360 2.111008 0.420806
H -8.080278 -0.070337 -1.166054
H -6.044610 3.295433 0.682582
H -8.168859 2.209233 -0.109691
H 5.442170 -1.272419 -1.435877
H 2.875849 1.264406 0.953628
H 7.375150 0.280225 -1.037063
H 4.782475 2.832219 1.369973
H 7.162683 3.372613 0.988556
H 8.198764 2.351446 0.027104


