%chk=000050888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050888

0 1
 O    1.274700     -6.5499999E-02 -0.3250000    
 O    1.964700      -2.261400     -0.2922000    
 N   -2.347100      0.3048000     -0.8247000    
 N    7.386200       1.068200      0.6811000    
 C   -2.902800     -0.1583000      0.4519000    
 C   -4.065400      -1.120600      0.1236000    
 C   -3.353500       1.027600       1.330500    
 C   -3.664800      -2.559300     -0.2646000    
 C   -4.747400       1.613000       1.015100    
 C  -0.9768000      0.7549000     -0.6516000    
 C  -0.5431000       1.676200      -1.807500    
 C  -6.8599999E-02 -0.4752000     -0.5510000    
 C   -2.892700      -3.207900      0.8888000    
 C   -4.870400      -3.426100     -0.6292000    
 C   -4.846900       2.141500     -0.4164000    
 C   -5.069000       2.738100       2.003800    
 C   -1.411400       2.919600      -1.957400    
 C    2.193100      -1.064200     -0.2147000    
 C    3.549400     -0.5074000      1.9900000E-02
 C    4.640200      -1.365000      0.1637000    
 C    3.732800      0.8732000      9.6000001E-02
 C    5.914300     -0.8417000      0.3837000    
 C    5.006900       1.396400      0.3161000    
 C    6.097700      0.5390000      0.4600000    
 H   -2.162600     -0.6938000       1.046600    
 H   -4.700800     -0.7193000     -0.6741000    
 H   -4.711200      -1.203200       1.008600    
 H   -2.610000       1.832900       1.331100    
 H   -3.381400      0.6652000       2.368200    
 H   -3.007000      -2.527200      -1.141400    
 H   -5.516900      0.8456000       1.153200    
 H   -2.380200     -0.4317000      -1.527700    
 H  -0.8485000       1.348600      0.2615000    
 H  -0.5502000       1.123000      -2.755300    
 H   0.4913000       2.003100      -1.644700    
 H  -0.1099000      -1.053900      -1.483200    
 H  -0.3517000      -1.135000      0.2727000    
 H   -3.440200      -3.128400       1.834100    
 H   -2.730100      -4.273400      0.6893000    
 H   -1.902100      -2.768100       1.023600    
 H   -5.558800      -3.523400      0.2170000    
 H   -4.554700      -4.431000     -0.9287000    
 H   -5.422700      -2.985700      -1.465800    
 H   -4.092500       2.912700     -0.5998000    
 H   -5.827500       2.603500     -0.5800000    
 H   -4.741700       1.365900      -1.175600    
 H   -4.352300       3.562000       1.916600    
 H   -5.039800       2.370200       3.034900    
 H   -6.071200       3.141100       1.822700    
 H   -2.419800       2.660700      -2.292100    
 H  -0.9788000       3.590100      -2.707000    
 H   -1.482800       3.467600      -1.012800    
 H    4.518300      -2.443400      0.1074000    
 H    2.912400       1.577100     -1.0500000E-02
 H    6.756500      -1.520200      0.4939000    
 H    5.137500       2.474100      0.3733000    
 H    7.519300       2.069000      0.7386000    
 H    8.177100      0.4469000      0.7876000    


%chk=000050888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050888

0 1
O 1.313534 -0.049258 -0.349633
O 2.082010 -2.247203 -0.509311
N -2.414603 0.274986 -0.782586
N 7.535137 1.075651 0.777714
C -3.011165 -0.136410 0.522260
C -4.125461 -1.185359 0.277828
C -3.510850 1.080793 1.360957
C -3.628731 -2.604053 -0.122007
C -4.870859 1.733774 0.987557
C -0.987946 0.680358 -0.786850
C -0.638105 1.469196 -2.070525
C -0.060051 -0.548424 -0.633007
C -2.974068 -3.344981 1.068632
C -4.796436 -3.438918 -0.699906
C -4.833686 2.486648 -0.363437
C -5.316514 2.690460 2.121402
C -1.307586 2.855600 -2.143269
C 2.325270 -1.026415 -0.314103
C 3.655273 -0.445847 -0.029034
C 4.777995 -1.316256 0.030918
C 3.856275 0.945131 0.187028
C 6.061771 -0.820829 0.296573
C 5.136681 1.452155 0.453961
C 6.264280 0.576928 0.513510
H -2.229374 -0.623777 1.155614
H -4.801068 -0.798544 -0.513156
H -4.739974 -1.277271 1.196089
H -2.726296 1.866440 1.345185
H -3.579459 0.733843 2.414541
H -2.860191 -2.499298 -0.919545
H -5.632611 0.929999 0.912339
H -2.620516 -0.392245 -1.538839
H -0.825873 1.340512 0.088176
H -0.937742 0.859956 -2.949949
H 0.462558 1.575927 -2.119909
H -0.035876 -1.157133 -1.558053
H -0.374181 -1.201004 0.202691
H -3.714800 -3.508193 1.875653
H -2.589150 -4.333135 0.756447
H -2.126679 -2.778596 1.496268
H -5.601531 -3.556765 0.051562
H -4.459225 -4.450801 -0.992141
H -5.237103 -2.954646 -1.591680
H -4.131354 3.341157 -0.306177
H -5.834309 2.885787 -0.618541
H -4.484087 1.829878 -1.177295
H -4.569261 3.494647 2.269121
H -5.430921 2.155272 3.083311
H -6.283450 3.171084 1.880339
H -2.403129 2.761326 -2.059853
H -1.069891 3.364700 -3.095469
H -0.958979 3.505409 -1.317750
H 4.614499 -2.386252 -0.136360
H 2.995350 1.618272 0.143219
H 6.917634 -1.505306 0.339173
H 5.277722 2.527329 0.618823
H 7.684602 2.068720 0.932241
H 8.339598 0.456486 0.821352


