%chk=000040939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040939

0 1
 O    3.479700      -3.239100      -2.891700    
 O    3.095300      -3.909200     -0.7579000    
 N   4.3099999E-02   1.703300      0.3499000    
 C   -1.077100     -0.4055000     -0.3086000    
 C   0.1237000      0.3663000      6.6600002E-02
 C    1.437800     -1.7300000E-02  0.2043000    
 C    2.186300       1.131000      0.5865000    
 C    1.287600       2.196700      0.6708000    
 C    1.973500      -1.378100     -7.7000000E-03
 C   -2.013700      0.4902000      -1.131500    
 C   -1.669700      -1.130900      0.9076000    
 C    2.434300      -1.667100      -1.450400    
 C    3.546400       1.366900      0.8696000    
 C    1.682600       3.491500       1.025400    
 C   -1.836100      0.5461000      -2.492400    
 C   -2.290400      -2.340200      0.7090000    
 C   -2.989500       1.196900     -0.4716000    
 C   -1.553700     -0.5400000       2.142200    
 C    3.955900       2.657000       1.225800    
 C    3.036600       3.701500       1.301900    
 C   -2.687300       1.359800      -3.240200    
 C   -2.828800      -2.999600       1.814000    
 C   -3.840600       2.010400      -1.219500    
 C   -2.092000      -1.199600       3.247100    
 C    3.015200      -3.053700      -1.628000    
 C   -3.689500       2.091800      -2.603900    
 C   -2.729600      -2.429300       3.082900    
 H  -0.7428000      -1.205500     -0.9878000    
 H  -0.7955000       2.265800      0.3503000    
 H    2.817500      -1.548700      0.6739000    
 H    1.224800      -2.126400      0.2828000    
 H    1.585700      -1.564700      -2.136600    
 H    3.202700     -0.9400000      -1.738900    
 H    4.276600      0.5647000      0.8137000    
 H   0.9676000       4.305200       1.084800    
 H   -1.057100     -1.8700000E-02  -2.994700    
 H   -2.373000      -2.788200     -0.2762000    
 H   -3.126700       1.162200      0.6028000    
 H   -1.090800      0.4227000       2.319500    
 H    5.003600       2.844900       1.445000    
 H    3.376500       4.695800       1.580300    
 H   -2.569100       1.423800      -4.318000    
 H   -3.326100      -3.956600       1.686100    
 H   -4.619700       2.582500     -0.7241000    
 H   -2.020100     -0.7535000       4.234800    
 H   -4.351700       2.725900      -3.186100    
 H   -3.150200      -2.942000       3.943100    
 H    3.869900      -4.131200      -3.010200    


%chk=000040939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040939

0 1
O 3.886132 -3.142910 -2.861051
O 3.608325 -3.818380 -0.657834
N 0.064613 1.741287 0.291874
C -1.113953 -0.437161 -0.308499
C 0.135729 0.363920 0.012153
C 1.462429 -0.062191 0.151162
C 2.242810 1.106433 0.524591
C 1.339101 2.225999 0.597324
C 1.998095 -1.458404 -0.049596
C -2.124222 0.418850 -1.099295
C -1.743511 -1.110490 0.928020
C 2.779212 -1.595087 -1.382109
C 3.617956 1.314213 0.815748
C 1.771795 3.527119 0.932723
C -1.976843 0.557057 -2.503155
C -2.709996 -2.131661 0.733293
C -3.169733 1.124859 -0.451332
C -1.396232 -0.745906 2.250947
C 4.055442 2.609660 1.155125
C 3.143252 3.705293 1.209348
C -2.852984 1.378167 -3.245525
C -3.315587 -2.774117 1.833764
C -4.046181 1.952092 -1.192062
C -2.004407 -1.385312 3.356706
C 3.440242 -2.949072 -1.541166
C -3.891070 2.082513 -2.590855
C -2.965326 -2.400747 3.153463
H -0.790849 -1.254338 -0.984312
H -0.783687 2.296694 0.186269
H 2.672478 -1.738410 0.781369
H 1.179190 -2.200460 -0.030632
H 2.124742 -1.415002 -2.254410
H 3.571347 -0.822923 -1.443776
H 4.329438 0.480452 0.788121
H 1.073681 4.370301 0.981804
H -1.167188 0.020992 -3.014336
H -2.990464 -2.419719 -0.287885
H -3.314383 1.004480 0.628671
H -0.637958 0.026941 2.417765
H 5.112630 2.783937 1.384709
H 3.514918 4.701311 1.474889
H -2.728722 1.468944 -4.330493
H -4.055164 -3.565056 1.665039
H -4.852599 2.487257 -0.677807
H -1.722200 -1.093772 4.374794
H -4.573207 2.719029 -3.165303
H -3.431798 -2.899746 4.010244
H 4.336808 -4.029138 -2.923783


