%chk=000150454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150454

0 1
 O   0.4458000       2.724900      6.3400000E-02
 O   -3.717800      0.3055000      0.3814000    
 O   -5.656400     -0.8996000      0.5139000    
 O    6.588000      -2.533000      0.5832000    
 N    3.615500     -0.3918000      0.2789000    
 C   0.3992000      0.5052000     -0.3511000    
 C    1.731400      0.9707000     -0.5113000    
 C  -0.3506000       1.620800      1.8000000E-03
 C   -1.718000       1.592400      0.2521000    
 C   -1.637400     -0.8272000     -0.2242000    
 C    1.704600       2.320700     -0.2491000    
 C  -0.2529000     -0.7398000     -0.4666000    
 C    2.912500      0.1684000     -0.8843000    
 C   -2.327400      0.3376000      0.1271000    
 C   -2.390500      -2.087200     -0.3235000    
 C   -2.491600       2.808800      0.6296000    
 C    2.737600       3.367100     -0.2421000    
 C    4.770900      -1.160300     -0.1483000    
 C   -3.707700      -2.082000     -7.5700000E-02
 C   -1.681300      -3.355900     -0.6984000    
 C   -4.450700     -0.8671000      0.2951000    
 C    5.476700      -1.778100       1.048100    
 H   0.3299000      -1.614100     -0.7411000    
 H    2.601500     -0.6431000      -1.554800    
 H    3.604500      0.7972000      -1.459400    
 H   -2.952200       2.676400       1.614100    
 H   -1.855800       3.698400      0.6791000    
 H   -3.276900       3.004500     -0.1079000    
 H    2.978200     -0.9958000      0.7984000    
 H    3.640800       3.018200      0.2682000    
 H    3.007000       3.643200      -1.266100    
 H    2.390500       4.268700      0.2728000    
 H    5.481800     -0.5242000     -0.6903000    
 H    4.478000      -1.960500     -0.8401000    
 H   -4.291500      -2.995300     -0.1405000    
 H  -0.9019000      -3.596800      3.2400001E-02
 H   -1.224200      -3.268000      -1.689900    
 H   -2.364900      -4.211600     -0.7338000    
 H    4.809300      -2.450600       1.597400    
 H    5.843500      -1.005200       1.731900    
 H    7.020400      -2.915300       1.365800    


%chk=000150454-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150454

0 1
O 0.499301 2.473749 0.300704
O -3.936063 0.482109 0.190772
O -6.041179 -0.455205 0.144844
O 7.268149 -1.928303 0.506124
N 3.935400 -0.287713 0.261458
C 0.243333 0.237905 -0.257226
C 1.667604 0.561063 -0.301417
C -0.436050 1.439748 0.116523
C -1.821578 1.571200 0.278218
C -1.928656 -0.866969 -0.345504
C 1.787378 1.900838 0.030122
C -0.514793 -0.923543 -0.491255
C 2.781120 -0.394159 -0.665624
C -2.545693 0.374913 0.034637
C -2.797197 -2.023747 -0.567022
C -2.500408 2.860955 0.674226
C 2.941517 2.837519 0.141923
C 5.044572 -1.217176 -0.048926
C -4.163267 -1.893397 -0.405657
C -2.197465 -3.353211 -0.970580
C -4.820485 -0.650740 -0.020430
C 6.250066 -0.924004 0.850290
H -0.032763 -1.860674 -0.783529
H 2.362012 -1.430416 -0.707173
H 3.157554 -0.177966 -1.686243
H -3.083165 2.728334 1.603024
H -1.760355 3.662094 0.825734
H -3.220119 3.179372 -0.100919
H 3.623320 -0.374185 1.239827
H 3.874693 2.260184 0.042245
H 2.901934 3.617482 -0.641820
H 2.941947 3.354196 1.119389
H 5.343421 -1.067272 -1.103218
H 4.770690 -2.293382 0.062680
H -4.835707 -2.740930 -0.564274
H -1.481324 -3.715353 -0.209077
H -1.643463 -3.267151 -1.924244
H -2.979375 -4.119136 -1.096725
H 5.957587 -1.007285 1.921377
H 6.609757 0.108632 0.663658
H 8.095649 -1.752178 1.019289


