%chk=000010764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010764

1 1
 O   0.4121000      0.1181000      4.1299999E-02
 O  -0.5092000      -1.598600      -1.153500    
 N    4.139100     -6.2199999E-02  9.9399999E-02
 N   -1.889300     -2.4000001E-03 -0.1760000    
 C    2.754200      0.4799000      0.4226000    
 C    4.277100      -1.469600      0.6618000    
 C    4.330500     -9.7900003E-02  -1.409900    
 C    5.194800      0.8392000      0.7234000    
 C    1.707100     -0.4034000     -0.2267000    
 C    5.655600      -2.002800      0.3375000    
 C   -1.999700       1.213400      0.6240000    
 C   -3.143900     -0.5816000     -0.6345000    
 C   -1.974400       2.476500     -0.2303000    
 C   -3.714500      -1.591600      0.3555000    
 C  -0.6516000     -0.5768000     -0.4840000    
 C   -2.062200       3.754600      0.6070000    
 C   -5.019200      -2.223300     -0.1352000    
 C   -1.974100       4.996900     -0.2655000    
 C   -5.532400      -3.268500      0.8431000    
 H    2.638600      0.5046000       1.512800    
 H    2.687900       1.510400      5.3199999E-02
 H    4.102000      -1.429300       1.742400    
 H    3.546800      -2.131300      0.1918000    
 H    3.928100      0.8282000      -1.833200    
 H    5.399200     -0.1442000      -1.640400    
 H    3.826500     -0.9717000      -1.832600    
 H    5.141000      0.7404000       1.811700    
 H    6.187700      0.5772000      0.3503000    
 H    4.972700       1.870700      0.4312000    
 H    1.717700      -1.417000      0.1799000    
 H    1.820600     -0.4445000      -1.313600    
 H    6.459500      -1.457000      0.8381000    
 H    5.868700      -2.057300     -0.7328000    
 H    5.723800      -3.032700      0.7090000    
 H   -2.925200       1.167100       1.210000    
 H   -1.178400       1.246200       1.348800    
 H   -2.956900      -1.087100      -1.589400    
 H   -3.861900      0.2223000     -0.8324000    
 H   -1.052300       2.494200     -0.8250000    
 H   -2.803200       2.453900     -0.9486000    
 H   -3.887500      -1.104100       1.322900    
 H   -2.972900      -2.380200      0.5366000    
 H   -1.248900       3.773900       1.341500    
 H   -3.005500       3.768100       1.165000    
 H   -4.859500      -2.694200      -1.112000    
 H   -5.780000      -1.445800     -0.2691000    
 H   -2.790300       5.022600     -0.9946000    
 H   -2.040900       5.898500      0.3513000    
 H   -1.025100       5.027500     -0.8102000    
 H   -5.728700      -2.824200       1.824100    
 H   -6.465700      -3.705800      0.4752000    
 H   -4.805500      -4.077000      0.9709000    


%chk=000010764-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010764

1 1
O 0.435319 0.119092 -0.038371
O -0.582216 -1.631028 -1.239337
N 4.211085 -0.110704 -0.002982
N -1.889890 0.023028 -0.186358
C 2.747063 0.335362 0.238898
C 4.433359 -1.513356 0.633876
C 4.516665 -0.142513 -1.500198
C 5.114777 0.924750 0.665211
C 1.682012 -0.567533 -0.399882
C 5.871771 -2.035987 0.578132
C -1.953893 1.256305 0.637924
C -3.168302 -0.592066 -0.642768
C -1.967365 2.552113 -0.204812
C -3.734180 -1.616157 0.365210
C -0.729777 -0.586486 -0.550148
C -2.107002 3.815044 0.676207
C -5.078577 -2.213156 -0.112212
C -2.120501 5.117284 -0.152616
C -5.646782 -3.252938 0.876890
H 2.599719 0.374866 1.331691
H 2.651412 1.357607 -0.165560
H 4.083330 -1.422743 1.677160
H 3.755381 -2.197987 0.099317
H 4.191673 0.809208 -1.947981
H 5.598763 -0.269780 -1.646257
H 3.979056 -0.978160 -1.970103
H 4.920867 0.927029 1.748807
H 6.167305 0.675502 0.472800
H 4.888379 1.916344 0.244224
H 1.673207 -1.594226 0.008134
H 1.767922 -0.633702 -1.499758
H 6.581019 -1.427729 1.162702
H 6.250278 -2.148356 -0.451500
H 5.873680 -3.044997 1.027066
H -2.876874 1.196211 1.245193
H -1.099396 1.268569 1.335031
H -2.986551 -1.084323 -1.613811
H -3.891628 0.228809 -0.805762
H -1.033243 2.609387 -0.797654
H -2.804573 2.514784 -0.930021
H -3.875114 -1.133145 1.353633
H -2.995427 -2.429290 0.502592
H -1.274030 3.848633 1.408427
H -3.040556 3.747959 1.270836
H -4.936388 -2.686230 -1.104727
H -5.816145 -1.397428 -0.256289
H -2.965113 5.124946 -0.866055
H -2.221707 6.005168 0.496624
H -1.187711 5.230194 -0.736611
H -5.830827 -2.801537 1.869714
H -6.603691 -3.668515 0.514008
H -4.944186 -4.095822 1.014263


