%chk=000066749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066749

0 1
 O  -0.5363000       1.983200     -0.5486000    
 N    2.989900     -0.2197000      0.2024000    
 C    1.856000      0.6530000     -0.1000000    
 C   0.5296000     -8.3700001E-02  8.6700000E-02
 C    4.250600      0.4986000      1.9300001E-02
 C    2.955000      -1.414000     -0.6408000    
 C  -0.6668000      0.8125000     -0.1985000    
 C    4.279200       1.735400      0.8965000    
 C    4.098500      -2.342300     -0.2790000    
 C   -2.039500      0.2461000     -4.5899998E-02
 C   -2.171000      -1.065800      0.3473000    
 C   -3.119600       1.058500     -0.3043000    
 C   -3.453800      -1.594700      0.4902000    
 C   -4.402400      0.5297000     -0.1612000    
 C   -4.569600     -0.7969000      0.2361000    
 H    1.921700       1.051900      -1.121400    
 H    1.823500       1.509600      0.5819000    
 H   0.4372000     -0.9064000     -0.6279000    
 H   0.4612000     -0.4555000       1.115300    
 H    5.099800     -0.1131000      0.3403000    
 H    4.418400      0.7807000      -1.027700    
 H    2.056400      -2.008400     -0.4557000    
 H    2.987200      -1.171600      -1.710100    
 H    3.666300       2.549900      0.4976000    
 H    3.966200       1.518900       1.923900    
 H    5.304000       2.121400      0.9473000    
 H    5.062300      -1.990900     -0.6603000    
 H    4.176500      -2.495200      0.8031000    
 H    3.929000      -3.325700     -0.7327000    
 H   -1.334700      -1.722800      0.5553000    
 H   -3.011700       2.093200     -0.6144000    
 H   -3.584800      -2.627700      0.7993000    
 H   -5.271300       1.150600     -0.3591000    
 H   -5.568300      -1.208800      0.3474000    


%chk=000066749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066749

0 1
O -0.605469 1.858691 -1.119784
N 3.038945 -0.162516 -0.127387
C 1.854064 0.610119 -0.587937
C 0.541304 -0.042813 -0.116765
C 4.234368 0.697998 0.090888
C 3.327005 -1.331615 -1.003597
C -0.703841 0.758760 -0.496309
C 4.149277 1.523550 1.388872
C 4.095960 -2.453235 -0.278847
C -2.056486 0.223562 -0.106486
C -2.217666 -0.986861 0.620712
C -3.210733 0.964329 -0.481150
C -3.507254 -1.445592 0.965382
C -4.497558 0.505920 -0.137954
C -4.649213 -0.701528 0.586888
H 1.837167 0.736547 -1.696426
H 1.904149 1.629676 -0.169943
H 0.445902 -1.070130 -0.523696
H 0.583298 -0.164134 0.984359
H 5.117810 0.036862 0.155467
H 4.411739 1.378702 -0.780444
H 2.359832 -1.740059 -1.352696
H 3.884287 -1.022488 -1.924681
H 3.296368 2.226215 1.377495
H 4.026421 0.852405 2.256803
H 5.070293 2.120303 1.528119
H 5.083786 -2.111151 0.079051
H 3.521420 -2.801551 0.597091
H 4.264928 -3.309480 -0.958541
H -1.341765 -1.570704 0.921996
H -3.064528 1.895122 -1.039560
H -3.623887 -2.378679 1.527434
H -5.381453 1.082991 -0.431016
H -5.649769 -1.059214 0.854959


