%chk=000038635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038635

0 1
 O  -0.5290000     -0.1615000      -2.445900    
 N  -0.2601000      -1.746300     -0.7201000    
 N    2.891200       1.926900     -0.1011000    
 N  -6.2300000E-02  -2.873400      -1.476600    
 C  -0.6312000      0.5019000     -6.2100001E-02
 C   0.4741000       1.553100     -9.7099997E-02
 C  -0.4891000     -0.4410000       1.123400    
 C  -0.4726000     -0.4772000      -1.265800    
 C  -0.2704000      -1.746000      0.6732000    
 C   -1.980700       1.145000     -0.1121000    
 C    1.853300      0.9029000     -8.6900003E-02
 C    4.216300       1.323700     -8.1500001E-02
 C  -0.5439000     -0.1624000       2.479700    
 C  -0.1041000      -2.804600       1.548600    
 C   -3.121900      0.3539000     -0.2216000    
 C   -2.090600       2.532000     -4.8700001E-02
 C  -0.3784000      -1.219500       3.378200    
 C  -0.1607000      -2.529000       2.916400    
 C    5.262800       2.443100     -8.8699996E-02
 C    4.352000      0.4853000       1.193900    
 C    4.388500      0.4336000      -1.317900    
 C    1.123600      -2.718200      -2.321500    
 C   -1.242700      -3.149400      -2.297800    
 C   -4.380400      0.9535000     -0.2681000    
 C   -3.349300       3.131500     -9.5100001E-02
 C   -4.494100       2.342100     -0.2047000    
 H   0.4258000       2.213500      0.7804000    
 H   0.4009000       2.172900      -1.002200    
 H    1.931200      0.2577000     -0.9642000    
 H    1.933100      0.2911000      0.8121000    
 H    2.782900       2.512900     -0.9289000    
 H  -0.7101000      0.8461000       2.842000    
 H   6.4599998E-02  -3.817700       1.201000    
 H   -3.064900     -0.7298000     -0.2713000    
 H   -1.253300       3.213200      4.0600002E-02
 H  -0.4175000      -1.028400       4.447400    
 H    5.149600       3.100800      0.7812000    
 H    6.279700       2.035000     -6.3000001E-02
 H    5.179500       3.063100     -0.9891000    
 H    3.811500     -0.4666000       1.155500    
 H    4.024900       1.038400       2.082700    
 H    5.403900      0.2198000       1.359000    
 H    4.100500      0.9549000      -2.238600    
 H    5.441800      0.1485000      -1.432900    
 H    3.831400     -0.5075000      -1.262500    
 H  -3.4400001E-02  -3.335500       3.633900    
 H    1.353200      -3.671100      -2.812400    
 H    2.000800      -2.464300      -1.714700    
 H    1.017400      -1.962300      -3.106400    
 H   -1.429400      -2.399300      -3.073400    
 H   -2.139800      -3.227300      -1.672000    
 H   -1.127900      -4.118700      -2.796600    
 H   -5.272100      0.3392000     -0.3530000    
 H   -3.439600       4.212800     -4.4900000E-02
 H   -5.474100       2.808900     -0.2404000    


%chk=000038635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038635

0 1
O -0.469572 -0.034914 -2.515279
N -0.504572 -1.819938 -0.955378
N 2.946021 1.884506 -0.069618
N -0.421870 -2.936981 -1.836361
C -0.634081 0.384107 -0.015130
C 0.532813 1.424928 0.033548
C -0.515827 -0.689020 1.065335
C -0.527418 -0.462832 -1.330700
C -0.465914 -1.970584 0.460006
C -1.995561 1.128134 -0.027197
C 1.944727 0.802188 0.023798
C 4.395098 1.547781 0.109465
C -0.425385 -0.586291 2.462638
C -0.359712 -3.158882 1.200354
C -2.966741 0.952376 0.989967
C -2.284060 2.023502 -1.092855
C -0.309189 -1.770768 3.238067
C -0.285370 -3.040102 2.610933
C 5.176051 2.862458 -0.134075
C 4.636281 1.074878 1.565384
C 4.888337 0.456073 -0.888740
C 0.876505 -2.975526 -2.565190
C -1.618500 -3.037840 -2.715740
C -4.185880 1.668423 0.955513
C -3.501410 2.735302 -1.127566
C -4.457955 2.567050 -0.099182
H 0.417613 2.054296 0.935003
H 0.425457 2.091744 -0.843817
H 2.011756 0.059397 -0.810002
H 2.109627 0.247066 0.963847
H 2.811442 2.429979 -0.934269
H -0.437792 0.394338 2.952008
H -0.328940 -4.126600 0.691748
H -2.781188 0.250856 1.808585
H -1.567770 2.134848 -1.913498
H -0.238723 -1.701485 4.328840
H 4.843675 3.639661 0.576486
H 6.261910 2.704214 -0.006778
H 5.007314 3.239026 -1.162269
H 4.155222 0.100782 1.769278
H 4.230162 1.818256 2.273577
H 5.718782 0.956166 1.754850
H 4.742262 0.786628 -1.934931
H 5.964107 0.244267 -0.742785
H 4.336965 -0.491931 -0.747583
H -0.201078 -3.945183 3.223011
H 0.934395 -3.938171 -3.102578
H 1.700638 -2.937381 -1.833144
H 0.991606 -2.144614 -3.291573
H -1.686445 -2.210931 -3.452424
H -2.525135 -3.040769 -2.088911
H -1.562191 -4.000561 -3.253366
H -4.922521 1.519044 1.753374
H -3.705524 3.417297 -1.960836
H -5.402541 3.122034 -0.124443


