%chk=000072006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072006

0 1
 O   -1.273700      -1.114400      3.9700001E-02
 O   0.9447000      4.4100001E-02 -0.9758000    
 O   -4.148200      -1.151300     -0.4656000    
 O    2.162900      -2.205200      0.1725000    
 O   -6.077400     -0.5863000      0.4513000    
 O   -5.758900     -0.1360000      -1.709200    
 N    5.205800     -0.2254000     -0.5565000    
 N   -5.437500     -0.5712000     -0.6010000    
 C   -3.597000      -1.005200      0.8422000    
 C   -3.463600      0.4720000       1.194100    
 C   -2.203500       1.064000      0.6250000    
 C   -2.245500      -1.701100      0.9126000    
 C   -1.191300      0.2519000      0.1000000    
 C    2.936200      -1.219000     -0.5173000    
 C  -3.7400000E-02  0.8244000     -0.4422000    
 C    4.352400      -1.230300      6.2799998E-02
 C    2.236700      0.1314000     -0.3790000    
 C   -2.025200       2.454400      0.6343000    
 C    6.529200     -0.2195000      5.2099999E-02
 C   0.1255000       2.208900     -0.4357000    
 C  -0.8662000       3.023600      0.1057000    
 C    7.408200      0.8080000     -0.6541000    
 C    6.424000      8.2300000E-02   1.544300    
 H   -4.252300      -1.510100       1.564200    
 H   -4.311500       1.084700      0.8751000    
 H   -3.390600      0.5623000       2.286000    
 H   -1.846900      -1.696200       1.934600    
 H   -2.349400      -2.746100      0.6008000    
 H    2.959500      -1.518300      -1.572200    
 H    4.779800      -2.233700     -6.1099999E-02
 H    4.239300      -1.073400       1.140700    
 H    2.798600      0.9208000     -0.8893000    
 H    2.144700      0.3870000      0.6851000    
 H    7.003500      -1.200800     -7.7399999E-02
 H   -2.792900       3.102900       1.049300    
 H    5.281200     -0.4082000      -1.556700    
 H    1.016200       2.667600     -0.8561000    
 H  -0.7400000       4.102300      0.1119000    
 H    7.499200      0.5817000      -1.722500    
 H    8.418500      0.8108000     -0.2307000    
 H    7.000100       1.820400     -0.5560000    
 H    7.413800      0.3138000       1.955200    
 H    6.051500     -0.7709000       2.119800    
 H    5.782300      0.9487000       1.741800    
 H    1.264700      -2.183700     -0.1999000    


%chk=000072006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072006

0 1
O -0.978038 -0.835971 -0.096120
O 1.006680 0.767914 -1.027441
O -3.795216 -1.148183 -0.795395
O 1.718507 -1.630028 0.383019
O -5.998852 -1.137094 0.125463
O -5.670813 -1.056582 -2.143735
N 5.155575 -0.459807 -0.464668
N -5.309396 -1.105930 -0.943436
C -3.354439 -1.166036 0.637118
C -3.385523 0.235877 1.268097
C -2.238645 1.116500 0.790914
C -1.928969 -1.726033 0.591962
C -1.110584 0.551518 0.148810
C 2.704609 -0.840785 -0.353985
C -0.041951 1.371647 -0.311160
C 4.067606 -1.101512 0.309632
C 2.330746 0.648696 -0.338227
C -2.269499 2.517957 0.989624
C 6.517850 -0.549649 0.131723
C -0.090973 2.763330 -0.091755
C -1.204065 3.337648 0.563846
C 7.552299 -0.176660 -0.949663
C 6.642065 0.387255 1.353564
H -4.009908 -1.863802 1.189176
H -4.357951 0.718124 1.066561
H -3.333314 0.105297 2.368432
H -1.584167 -1.888934 1.632719
H -1.883649 -2.672331 0.032167
H 2.738074 -1.169124 -1.418957
H 4.185486 -2.205891 0.419171
H 4.049123 -0.678781 1.330666
H 3.073472 1.244680 -0.894618
H 2.242202 1.015707 0.702413
H 6.733330 -1.594502 0.474712
H -3.142399 2.965105 1.480475
H 5.167809 -0.820278 -1.430964
H 0.734978 3.382915 -0.456573
H -1.244369 4.419470 0.725902
H 7.500915 -0.868610 -1.812736
H 8.577688 -0.220929 -0.542069
H 7.364352 0.848961 -1.317191
H 7.661022 0.332546 1.779183
H 5.930895 0.117610 2.154828
H 6.438221 1.429194 1.047160
H 0.808715 -1.398799 0.034157


