%chk=000037704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037704

0 1
 O    2.071100     -0.3118000      -2.201500    
 N  -0.2144000      -1.207500     -0.6889000    
 C  -0.8991000      -2.219200      0.1135000    
 C   -2.186800      -2.659400     -0.5914000    
 C   3.3700000E-02  -3.411100      0.3554000    
 C   -2.891500      -3.773200      0.1812000    
 C  -0.6738000      -4.523500       1.127400    
 C   -1.962700      -4.957100      0.4348000    
 C    1.046900     -0.8206000     -5.7300001E-02
 C   -1.071300     -3.7000000E-02 -0.8768000    
 C    1.786500      0.2192000     -0.9079000    
 C   -1.481500      0.5631000      0.4684000    
 C    3.094300      0.6302000     -0.2676000    
 C   -2.384000       1.757900      0.2893000    
 C    3.110200       1.701000      0.6098000    
 C    4.246900     -7.3500000E-02 -0.5721000    
 C   -1.825700       3.022400      0.1789000    
 C   -3.757400       1.572300      0.2374000    
 C    4.315600       2.079800       1.200400    
 C    5.452200      0.3054000      1.8800000E-02
 C   -2.660400       4.127700      1.2900000E-02
 C   -4.592000       2.677600      7.1400002E-02
 C    5.486600       1.382000      0.9049000    
 C   -4.043300       3.955300     -4.1000001E-02
 H   -1.147900      -1.858600       1.117700    
 H   -2.917800      -1.849700     -0.6744000    
 H   -1.966500      -3.009400      -1.608400    
 H   0.4059000      -3.811100     -0.5968000    
 H   0.9008000      -3.146400      0.9689000    
 H   -3.772000      -4.110100     -0.3777000    
 H   -3.252800      -3.381000       1.140100    
 H  -0.9046000      -4.176600       2.142400    
 H  -4.3000001E-03  -5.385200       1.229800    
 H   -2.477500      -5.705000       1.048300    
 H   -1.718600      -5.439400     -0.5197000    
 H    1.726700      -1.679400     -4.2599998E-02
 H   0.9373000     -0.4902000      0.9820000    
 H   -1.957700     -0.2923000      -1.468600    
 H  -0.6139000      0.7191000      -1.521800    
 H    1.216900       1.141100      -1.053400    
 H  -0.6187000      0.8920000       1.058100    
 H   -2.035700     -0.1327000       1.105000    
 H    2.503200      0.3865000      -2.723200    
 H    2.202600       2.248200      0.8482000    
 H    4.244800     -0.9250000      -1.246000    
 H  -0.7496000       3.166700      0.2167000    
 H   -4.194700      0.5814000      0.3207000    
 H    4.342300       2.917400       1.891200    
 H    6.363600     -0.2401000     -0.2080000    
 H   -2.233300       5.122300     -7.5300001E-02
 H   -5.668900       2.543500      2.8500000E-02
 H    6.425000       1.676200       1.365800    
 H   -4.693200       4.815800     -0.1707000    


%chk=000037704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037704

0 1
O 1.762403 0.218295 -2.139108
N -0.260491 -1.160435 -0.493061
C -0.825364 -2.325471 0.262249
C -2.256595 -2.681571 -0.219234
C 0.088317 -3.574611 0.112799
C -2.828517 -3.924780 0.503653
C -0.484919 -4.819272 0.831308
C -1.910439 -5.155330 0.342354
C 1.103831 -0.801872 -0.036504
C -1.165880 -0.014582 -0.705808
C 1.726512 0.452940 -0.682990
C -1.605120 0.775388 0.584033
C 3.123325 0.701448 -0.114767
C -2.516172 1.935936 0.234843
C 3.327576 1.674693 0.893998
C 4.230588 -0.052948 -0.580754
C -1.981097 3.211867 -0.086807
C -3.923605 1.760843 0.156859
C 4.614281 1.886679 1.439037
C 5.517694 0.160000 -0.039911
C -2.822385 4.279577 -0.471619
C -4.769886 2.825085 -0.227156
C 5.713311 1.128411 0.973278
C -4.222296 4.090262 -0.543950
H -0.885245 -2.088435 1.361411
H -2.948137 -1.833883 -0.055876
H -2.217810 -2.865896 -1.312220
H 0.207136 -3.777847 -0.970596
H 1.096198 -3.371329 0.518353
H -3.841226 -4.141974 0.111752
H -2.946756 -3.699423 1.584312
H -0.511597 -4.632378 1.925441
H 0.193607 -5.679865 0.672801
H -2.319099 -6.019210 0.901818
H -1.873021 -5.448523 -0.727014
H 1.787037 -1.638726 -0.264729
H 1.148467 -0.644096 1.073560
H -2.073970 -0.363506 -1.225679
H -0.679171 0.682854 -1.410038
H 1.101075 1.345728 -0.463216
H -0.701207 1.142504 1.108565
H -2.118916 0.076775 1.271956
H 2.271311 0.959244 -2.558842
H 2.478068 2.270285 1.252955
H 4.072996 -0.795461 -1.371205
H -0.896067 3.369813 -0.026268
H -4.357514 0.784123 0.407620
H 4.760778 2.642549 2.218833
H 6.367973 -0.426305 -0.406711
H -2.389611 5.258093 -0.710316
H -5.854081 2.670599 -0.275464
H 6.712517 1.293923 1.391649
H -4.877309 4.917811 -0.838793


