%chk=000050496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050496

0 1
 O    4.525700     -0.6829000      5.2200001E-02
 O    4.346800      -2.941400      0.2167000    
 N   0.3388000     -0.3872000      2.7799999E-02
 N   -2.530500     -9.9399999E-02  9.9999998E-03
 N    1.646600      -2.924200      0.2176000    
 C  -0.4216000     -0.4047000      -1.221700    
 C  -0.4182000     -0.2185000       1.268000    
 C   -1.846500     -0.9124000     -0.9977000    
 C   -1.711100      0.5620000       1.027600    
 C    1.697800     -0.5231000      3.5999998E-02
 C   -3.915600      3.9600000E-02  1.6000000E-03
 C    2.522700      0.7003000     -5.7200000E-02
 C    2.306100      -1.726300      0.1266000    
 C    3.910500      0.5751000     -4.4700000E-02
 C   -4.755100     -0.9870000     -0.4906000    
 C   -4.540700       1.212500      0.4855000    
 C    2.004600       2.002000     -0.1598000    
 C    3.788900      -1.850600      0.1363000    
 C    4.769300       1.674900     -0.1276000    
 C   -6.143100     -0.8484000     -0.4984000    
 C   -5.928600       1.351200      0.4778000    
 C    2.850600       3.115600     -0.2439000    
 C    4.232400       2.952100     -0.2277000    
 C   -6.729800      0.3208000     -1.4300000E-02
 H   7.0500001E-02  -1.047100      -1.962300    
 H  -0.4501000      0.6093000      -1.639400    
 H   0.1821000      0.3117000       2.017600    
 H  -0.6513000      -1.208500       1.679700    
 H   -2.374200     -0.8707000      -1.958500    
 H   -1.825900      -1.958300     -0.6675000    
 H   -2.248500      0.6253000       1.981700    
 H   -1.480900       1.583300      0.7008000    
 H   -4.332700      -1.917400     -0.8635000    
 H   -3.946600       2.041100      0.8644000    
 H   0.9323000       2.179800     -0.1745000    
 H    5.846800       1.538700     -0.1149000    
 H   0.6344000      -2.941900      0.2156000    
 H    2.170600      -3.788000      0.2821000    
 H   -6.767300      -1.651600     -0.8787000    
 H   -6.385800       2.262500      0.8521000    
 H    2.423800       4.111700     -0.3217000    
 H    4.885600       3.816700     -0.2930000    
 H   -7.810400      0.4288000     -2.0300001E-02


%chk=000050496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050496

0 1
O 4.608404 -0.625259 -0.125784
O 4.545685 -2.922234 -0.289257
N 0.326766 -0.598551 0.127688
N -2.545422 -0.109871 0.002633
N 1.792583 -3.006385 -0.107930
C -0.454892 -0.865624 -1.101495
C -0.402780 0.030603 1.253418
C -1.912967 -1.209560 -0.750176
C -1.662449 0.783669 0.775364
C 1.748314 -0.561195 0.039340
C -3.938486 0.074389 -0.017900
C 2.516530 0.680254 0.041235
C 2.430438 -1.778995 -0.087089
C 3.940790 0.611619 -0.018293
C -4.808501 -0.941661 -0.525293
C -4.534442 1.281604 0.465364
C 1.936398 1.984259 0.057957
C 3.898947 -1.851391 -0.193237
C 4.758281 1.757243 -0.008845
C -6.204793 -0.750312 -0.546162
C -5.933402 1.452461 0.445587
C 2.739157 3.138071 0.062493
C 4.154647 3.029280 0.042215
C -6.785703 0.443709 -0.060140
H -0.001729 -1.714749 -1.648773
H -0.444253 0.009415 -1.789958
H 0.261856 0.732247 1.789314
H -0.715242 -0.741199 1.988334
H -2.465052 -1.369423 -1.695903
H -1.943738 -2.167749 -0.182197
H -2.202708 1.141378 1.671735
H -1.370695 1.682952 0.185948
H -4.400559 -1.893659 -0.878778
H -3.907493 2.101627 0.828864
H 0.846432 2.080734 0.040794
H 5.844055 1.631809 -0.053624
H 0.813277 -3.050877 0.167154
H 2.372308 -3.844861 -0.133971
H -6.844699 -1.550424 -0.936742
H -6.358962 2.391406 0.819131
H 2.269259 4.127221 0.072599
H 4.778405 3.928825 0.050037
H -7.871165 0.584605 -0.075857


