%chk=000010831.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010831

0 1
 O   0.1533000       2.258500     -0.7926000    
 O   0.6543000     -0.3768000     -6.0400002E-02
 O  -0.9406000       2.980700       1.081300    
 O   0.4128000      -1.735100       1.763500    
 N    3.722700       1.336800     -0.3895000    
 N   -2.081200       2.150800     -0.7871000    
 N  -1.2000001E-03  -2.492300     -0.4125000    
 C    4.755700       1.012900      -1.383300    
 C    4.172200       2.403900      0.5156000    
 C    6.051100      0.5628000     -0.7060000    
 C    5.448400       1.999100       1.255100    
 C    6.554200       1.610600      0.2806000    
 C    2.476800       1.719800      -1.053000    
 C    1.333800       1.926200     -5.6200001E-02
 C    1.044300      0.6924000      0.7958000    
 C  -0.9700000       2.510700     -4.9400002E-02
 C   0.3559000      -1.569400      0.5511000    
 C   -3.441100       2.239300     -0.4116000    
 C  -0.3830000      -3.840600     -0.2273000    
 C   -4.419500       1.823300      -1.300700    
 C   -3.769700       2.739600      0.8384000    
 C  -0.7079000      -4.612200      -1.331800    
 C  -0.4246000      -4.365100       1.054800    
 C   -5.761400       1.910100     -0.9304000    
 C   -5.111900       2.826200       1.208700    
 C   -6.107500       2.411400      0.3242000    
 C   -1.084400      -5.942900      -1.149400    
 C  -0.8009000      -5.695900       1.237100    
 C   -1.130800      -6.484700      0.1350000    
 H    4.959700       1.876100      -2.030500    
 H    4.408500      0.1966000      -2.028300    
 H    3.436500       2.611500       1.297500    
 H    4.344200       3.338900     -3.3799998E-02
 H    6.818200      0.3710000      -1.464600    
 H    5.879600     -0.3838000     -0.1778000    
 H    5.788800       2.826700       1.887900    
 H    5.235000       1.153500       1.921500    
 H    7.421100       1.225800      0.8288000    
 H    6.887700       2.499800     -0.2683000    
 H    2.605900       2.632700      -1.651000    
 H    2.178600      0.9437000      -1.770800    
 H    1.548300       2.783400      0.5901000    
 H    1.934700      0.3979000       1.363300    
 H   0.2417000      0.8718000       1.518000    
 H   -1.901300       1.775000      -1.714900    
 H   1.1200000E-02  -2.163500      -1.375000    
 H   -4.160700       1.430900      -2.280300    
 H   -3.056500       3.078900       1.575400    
 H  -0.6750000      -4.200200      -2.336600    
 H  -0.1837000      -3.818000       1.954500    
 H   -6.536900       1.587100      -1.618900    
 H   -5.382900       3.216300       2.185500    
 H   -7.152500       2.478800      0.6126000    
 H   -1.341200      -6.557300      -2.007500    
 H  -0.8374000      -6.119200       2.236800    
 H   -1.423900      -7.520700      0.2770000    


%chk=000010831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000010831

0 1
O -0.461877 1.607612 -0.480699
O -0.072752 -0.966272 0.742470
O -1.274736 2.932085 1.294970
O 1.941888 -2.183393 0.975788
N 3.200078 1.081959 -0.059221
N -2.506329 2.534302 -0.695898
N -0.058609 -3.128038 0.120015
C 4.162531 0.023504 -0.460911
C 3.794669 2.439774 -0.126020
C 5.414723 0.061382 0.437974
C 5.036121 2.545449 0.783268
C 6.073690 1.459885 0.414868
C 1.880426 0.996075 -0.720768
C 0.777811 1.335395 0.301691
C 0.541479 0.240639 1.348954
C -1.422351 2.419001 0.156514
C 0.731672 -2.119537 0.642817
C -3.712286 3.258931 -0.485338
C 0.311868 -4.471439 -0.166756
C -4.686109 3.216028 -1.519204
C -3.968623 4.004388 0.695826
C -0.686742 -5.317976 -0.719473
C 1.614553 -4.981810 0.076131
C -5.904266 3.910106 -1.375153
C -5.194223 4.693319 0.823057
C -6.167615 4.654486 -0.201541
C -0.387171 -6.660461 -1.026747
C 1.896913 -6.328781 -0.238278
C 0.908270 -7.176199 -0.788671
H 4.476938 0.145572 -1.531169
H 3.658506 -0.952983 -0.357235
H 3.033838 3.180840 0.185205
H 4.088532 2.694735 -1.179223
H 6.129965 -0.713228 0.100324
H 5.111981 -0.191133 1.472359
H 5.476652 3.556869 0.688835
H 4.719078 2.412722 1.835771
H 6.934054 1.495565 1.109847
H 6.471162 1.662802 -0.601804
H 1.784572 1.691288 -1.586328
H 1.723406 -0.025994 -1.108890
H 1.042179 2.256720 0.856292
H 1.515303 -0.022591 1.800209
H -0.174228 0.579775 2.113581
H -2.411251 2.025384 -1.577579
H -1.024921 -2.854496 -0.072614
H -4.488927 2.640490 -2.432864
H -3.217914 4.035695 1.488002
H -1.694502 -4.925299 -0.906616
H 2.379037 -4.330328 0.504054
H -6.646439 3.868865 -2.180017
H -5.386658 5.267101 1.736623
H -7.113795 5.194048 -0.089146
H -1.166588 -7.302481 -1.451792
H 2.903680 -6.717280 -0.047599
H 1.140836 -8.219271 -1.027291


