%chk=000126458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126458

0 1
 O   -1.645200      -2.102500     -5.4099999E-02
 O    4.765700      -1.254300      0.3651000    
 O    3.647500       2.476600     -0.8836000    
 O    5.118100       1.475400      0.5310000    
 N   -3.924600      -1.045800      -1.159000    
 N  -0.6031000     -1.1300000E-02 -0.2732000    
 C   -4.940100       1.012100      0.8314000    
 C   -3.569700      0.3066000      0.8920000    
 C   -3.004500     -0.1473000     -0.4639000    
 C   -6.011000      0.1448000      0.1687000    
 C   -4.806100       2.335500      7.2700001E-02
 C   -1.683500     -0.8899000     -0.2449000    
 C   0.7678000     -0.3226000     -0.1101000    
 C    1.705600      0.6949000     -0.1678000    
 C    1.142000      -1.638800      0.1030000    
 C    3.056700      0.3872000     -7.7000000E-03
 C    2.493200      -1.946500      0.2631000    
 C    3.450500     -0.9334000      0.2078000    
 C    4.040500       1.459100     -7.0400000E-02
 H   -5.250400       1.228300       1.861200    
 H   -2.845200      0.9717000       1.381100    
 H   -3.659200     -0.5646000       1.556400    
 H   -2.826300      0.7189000      -1.110000    
 H   -6.998700      0.5394000      0.4401000    
 H   -5.984200      0.1729000     -0.9242000    
 H   -5.984300     -0.8881000      0.5302000    
 H   -4.573300       2.187400     -0.9864000    
 H   -5.745000       2.897700      0.1254000    
 H   -4.021700       2.960900      0.5119000    
 H   -3.513100      -1.345900      -2.041900    
 H   -4.071100      -1.889900     -0.6066000    
 H  -0.8037000      0.9750000     -0.4239000    
 H    1.377300       1.719400     -0.3241000    
 H   0.4647000      -2.477900      0.1567000    
 H    2.794700      -2.977100      0.4300000    
 H    5.325400     -0.4692000      0.2570000    
 H    4.315900       3.193900     -0.9201000    


%chk=000126458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126458

0 1
O -1.625506 -2.168224 -0.182078
O 4.882977 -1.229832 0.483567
O 3.604348 2.756605 -0.335695
O 5.355956 1.312699 0.122670
N -4.004182 -1.042993 -1.351476
N -0.584896 -0.069774 -0.401375
C -4.907078 1.069943 0.822645
C -3.616693 0.196216 0.796850
C -3.058539 -0.201369 -0.601115
C -6.200536 0.256283 0.573800
C -4.822289 2.277861 -0.140469
C -1.691630 -0.917032 -0.380454
C 0.788165 -0.380209 -0.175066
C 1.725766 0.667321 -0.231478
C 1.240640 -1.708957 0.103462
C 3.107718 0.419447 -0.014987
C 2.602151 -1.962095 0.317947
C 3.557578 -0.916625 0.264195
C 4.104662 1.487945 -0.064392
H -4.965314 1.473455 1.857075
H -2.813151 0.746548 1.329169
H -3.791747 -0.733811 1.375458
H -2.889401 0.724258 -1.188577
H -7.092952 0.900224 0.690972
H -6.193677 -0.167580 -0.444200
H -6.290583 -0.578129 1.295627
H -4.854275 1.942180 -1.193271
H -5.678528 2.959386 0.016415
H -3.895064 2.863668 0.015479
H -3.675845 -1.257678 -2.301973
H -4.201135 -1.917440 -0.846404
H -0.783667 0.915006 -0.596973
H 1.414357 1.696527 -0.441924
H 0.506837 -2.516418 0.144276
H 2.956878 -2.974203 0.531085
H 5.432669 -0.376807 0.410227
H 4.357586 3.406203 -0.346111


