%chk=000089368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089368

0 1
 O    2.480400      0.4795000       1.135700    
 O   2.9700000E-02   1.335900      -1.668000    
 O   0.4116000      -2.591400      0.8089000    
 O   -1.717300       1.738300     -0.2202000    
 N  -0.1998000     -0.6444000     -0.3899000    
 C    1.945000      3.8100000E-02  -1.069900    
 C    2.065100      -1.274000     -0.3102000    
 C    2.741800       1.002800     -0.1895000    
 C    2.931400     -0.8753000      0.8873000    
 C    4.237400      0.7126000     -0.3145000    
 C    4.369500     -0.6161000      0.4380000    
 C   0.4723000      0.3539000      -1.085500    
 C   0.6574000      -1.622300      0.1017000    
 C   -1.619800     -0.6595000     -0.1907000    
 C   -2.343800      0.5326000     -0.1105000    
 C   -2.284900      -1.882500     -7.5599998E-02
 C   -3.724900      0.5016000      8.3499998E-02
 C   -3.665900      -1.913300      0.1187000    
 C   -4.385800     -0.7213000      0.1982000    
 C   -1.824500       2.626600      0.8900000    
 C  -0.5748000       3.478000      0.9626000    
 H    2.315500     -1.9800000E-02  -2.098000    
 H    2.487000      -2.090000     -0.9043000    
 H    2.467300       2.056900     -0.2728000    
 H    2.831700      -1.504800       1.774500    
 H    4.823800       1.482300      0.1998000    
 H    4.578200      0.6536000      -1.352200    
 H    4.776300      -1.421000     -0.1810000    
 H    5.026200     -0.4802000       1.304600    
 H   -1.769200      -2.832800     -0.1705000    
 H   -4.300900       1.421300      0.1383000    
 H   -4.182500      -2.865300      0.1985000    
 H   -5.461600     -0.7456000      0.3453000    
 H   -2.702400       3.266200      0.7484000    
 H   -1.937800       2.072600       1.830100    
 H  -0.6366000       4.193500       1.787300    
 H   0.3102000       2.850100       1.107800    
 H  -0.4259000       4.027600      2.7300000E-02


%chk=000089368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089368

0 1
O 2.422101 0.805188 0.878162
O -0.031108 0.812390 -2.179777
O 0.323663 -2.451136 1.191147
O -1.312534 1.428673 0.577227
N -0.184366 -0.818623 -0.459088
C 2.009357 -0.238656 -1.217124
C 2.125912 -1.333947 -0.112271
C 2.770059 0.962781 -0.566458
C 2.940045 -0.591906 0.998671
C 4.295046 0.660732 -0.581526
C 4.415924 -0.446989 0.530967
C 0.509739 0.021109 -1.377832
C 0.687501 -1.634476 0.315502
C -1.609784 -0.778065 -0.270926
C -2.200168 0.405183 0.260337
C -2.407429 -1.895656 -0.576702
C -3.603473 0.456730 0.445722
C -3.805655 -1.848668 -0.378377
C -4.395242 -0.668681 0.125089
C -1.851293 2.685789 1.135540
C -0.653396 3.605826 1.352864
H 2.437826 -0.509816 -2.195621
H 2.619743 -2.267885 -0.426626
H 2.453201 1.955822 -0.910054
H 2.771373 -0.953878 2.020973
H 4.864096 1.563666 -0.306704
H 4.645378 0.318103 -1.570665
H 4.831728 -1.396236 0.150780
H 5.046782 -0.103556 1.366827
H -1.926691 -2.798427 -0.966613
H -4.078606 1.357709 0.843801
H -4.423093 -2.719930 -0.617156
H -5.479470 -0.619952 0.275569
H -2.576683 3.123878 0.420072
H -2.374901 2.466053 2.088727
H -0.982312 4.557466 1.808745
H 0.084777 3.126965 2.018099
H -0.158648 3.826819 0.391896


