%chk=000000661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000661

0 1
 O   -7.772300       2.141100       1.457100    
 O   -4.261900       1.462300      -2.096000    
 O   -5.744000       1.805000       2.418100    
 O   -7.440300      -3.542700       1.061200    
 O    6.529900       2.332100     -0.5003000    
 O   -8.222000      -2.582500     -0.8400000    
 N    5.484000      -2.180700      0.3235000    
 N   -4.659100      0.9195000      0.1231000    
 N    1.649500     -4.0100001E-02 -0.2981000    
 N    4.712700      0.2982000     -0.6769000    
 N    7.615400      -1.212200      0.9191000    
 N    8.142600       1.047800      0.5076000    
 N    9.679600     -0.4071000       1.534100    
 C   -6.086100       1.146700      9.8399997E-02
 C   -6.877700     -0.1016000     -0.3102000    
 C    3.877900     -0.6964000     -0.7362000    
 C    4.156600      -2.097400     -0.2272000    
 C    2.523700     -0.4544000      -1.353200    
 C    6.353300      -1.116000      0.3812000    
 C   -6.751400      -1.309400      0.6271000    
 C    5.945200      7.1999997E-02 -0.1131000    
 C   0.2959000      0.2391000     -0.4690000    
 C   -2.415100      0.8008000     -0.8114000    
 C   -3.828300       1.094100     -0.9899000    
 C   -6.484200       1.708500       1.447800    
 C  -0.2869000      0.1207000      -1.730800    
 C  -0.4768000      0.6384000      0.6216000    
 C   -1.642400      0.4016000      -1.901900    
 C   -1.832200      0.9193000      0.4503000    
 C    6.892100       1.245700     -5.4099999E-02
 C    8.463200     -0.1336000      0.9645000    
 C   -7.540800      -2.518500      0.1738000    
 H   -6.274600       1.937600     -0.6385000    
 H   -7.940300      0.1609000     -0.3949000    
 H   -6.562300     -0.4075000      -1.316700    
 H    4.053300      -2.801800      -1.058400    
 H    3.416600      -2.349400      0.5388000    
 H    2.618500      0.3233000      -2.119600    
 H    2.182000      -1.382200      -1.824700    
 H    5.811800      -3.063100      0.7009000    
 H   -5.700800      -1.611200      0.7002000    
 H   -7.109500      -1.036400       1.625900    
 H   -4.275000      0.5403000      0.9825000    
 H    2.025200      7.0699997E-02  0.6382000    
 H   0.2800000     -0.1864000      -2.604700    
 H  -3.3300001E-02  0.7414000       1.608700    
 H    7.890900      -2.117900       1.281900    
 H   -2.078700      0.2994000      -2.892200    
 H   -2.389200       1.257000       1.319400    
 H   -8.024400       2.519500       2.326300    
 H    9.905400      -1.333000       1.880900    
 H    10.39060      0.3106000       1.623600    
 H   -7.965000      -4.322400      0.7800000    


%chk=000000661-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000661

0 1
O -8.130430 0.955113 0.154977
O -3.833551 -0.367074 -2.172354
O -6.369530 2.027830 1.221581
O -5.903666 -3.349721 3.043829
O 8.033347 1.165911 -0.267506
O -6.253901 -4.004619 0.843999
N 3.968997 -1.447909 -0.178710
N -4.504756 0.628480 -0.192086
N 1.872455 2.137093 -0.323524
N 5.120916 1.087040 -0.542551
N 5.994511 -2.233105 0.832311
N 7.994159 -0.882401 0.878149
N 7.960213 -2.988758 1.914368
C -5.899144 0.236096 -0.417562
C -6.180471 -1.261749 -0.086279
C 3.906943 0.868932 -0.990493
C 3.372274 -0.559784 -1.203115
C 2.999191 2.058043 -1.268137
C 5.294344 -1.228795 0.157462
C -5.893366 -1.609331 1.384076
C 5.917218 -0.010572 -0.141100
C 0.573235 1.681942 -0.532374
C -2.140868 0.794536 -0.870067
C -3.529592 0.309594 -1.132635
C -6.779162 1.170525 0.403503
C 0.135361 1.106005 -1.766659
C -0.379572 1.790139 0.530500
C -1.192382 0.677206 -1.919059
C -1.702720 1.357692 0.361450
C 7.369607 0.165239 0.116028
C 7.337338 -1.977710 1.198572
C -6.042387 -3.090051 1.668656
H -6.141729 0.369897 -1.490876
H -7.231057 -1.486571 -0.339662
H -5.543785 -1.865490 -0.754308
H 3.643267 -0.912859 -2.222415
H 2.273921 -0.590342 -1.115085
H 3.618770 2.967023 -1.178378
H 2.603201 2.028296 -2.299459
H 3.367493 -2.031948 0.403744
H -4.859951 -1.316396 1.656162
H -6.557099 -1.063954 2.082550
H -4.338059 1.317423 0.546300
H 2.100364 2.488071 0.607701
H 0.824602 1.004057 -2.610889
H -0.066006 2.220681 1.489787
H 5.619898 -3.184352 0.853385
H -1.530977 0.233897 -2.861667
H -2.383137 1.446359 1.217169
H -8.677853 1.579585 0.704018
H 7.444184 -3.704332 2.420821
H 8.938772 -2.826449 2.143519
H -5.998130 -4.328738 3.200130


