%chk=000031930.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031930

0 1
 O    5.564300       2.550300      0.4808000    
 N   0.7117000      -1.516800     -0.5582000    
 N   -1.635300     -0.3335000      0.7677000    
 N    3.936900      0.3728000     -0.3627000    
 C  -0.5545000      -1.305800      -1.278300    
 C   0.4299000      -1.756900      0.8663000    
 C   -1.305300      -2.655100      -1.293100    
 C  -0.2649000      -3.131800      0.9719000    
 C   -1.392900     -0.1594000     -0.6679000    
 C  -0.3975000     -0.6157000       1.501400    
 C   -1.511200      -3.266400      9.4400004E-02
 C    1.683400     -0.4509000     -0.7801000    
 C    3.030900     -0.7442000     -0.1035000    
 C   -2.340800      0.8127000       1.332600    
 C    3.686500      -2.030300     -0.6064000    
 C    5.235100      0.1540000      0.2903000    
 C    3.349100       1.638800      9.7099997E-02
 C   -3.613900       1.111100      0.5862000    
 C    6.158700       1.337500      1.6600000E-02
 C    4.317100       2.787000     -0.1732000    
 C   -3.585300       1.984700     -0.4920000    
 C   -4.798300      0.5088000      0.9870000    
 C   -4.764900       2.261600      -1.183300    
 C   -5.977900      0.7855000      0.2957000    
 C   -5.961100       1.662000     -0.7893000    
 H  -0.3433000      -1.054300      -2.326200    
 H    1.340500      -1.878500       1.457800    
 H   -2.275100      -2.545900      -1.793300    
 H  -0.7269000      -3.366900      -1.898100    
 H   0.4519000      -3.908200      0.6705000    
 H  -0.5282000      -3.345700       2.014800    
 H  -0.8929000      0.7969000     -0.8671000    
 H   -2.334600     -0.1643000      -1.226800    
 H   0.2228000      0.2873000       1.571400    
 H  -0.6492000     -0.9002000       2.530900    
 H   -2.366700      -2.791200      0.5871000    
 H   -1.780300      -4.324700     -4.6999999E-03
 H    1.236900      0.4756000     -0.4237000    
 H    1.848400     -0.3356000      -1.859900    
 H    2.907500     -0.8221000      0.9816000    
 H   -1.705000       1.709200       1.335600    
 H   -2.585200      0.6183000       2.385400    
 H    2.970200      -2.859000     -0.6216000    
 H    4.500900      -2.367900      4.2599998E-02
 H    4.069600      -1.921100      -1.627700    
 H    5.107200      3.3900000E-02   1.373900    
 H    5.755200     -0.7260000     -9.8200001E-02
 H    3.116000       1.595000       1.168600    
 H    2.448400       1.920200     -0.4519000    
 H    7.104100       1.205200      0.5525000    
 H    6.393100       1.430400      -1.051000    
 H    4.489000       2.929000      -1.247300    
 H    3.907700       3.722200      0.2227000    
 H   -2.665400       2.472000     -0.8020000    
 H   -4.822100     -0.1769000       1.829300    
 H   -4.752500       2.946600      -2.026000    
 H   -6.909300      0.3183000      0.6019000    
 H   -6.879600       1.878000      -1.327100    


%chk=000031930-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031930

0 1
O 6.438908 1.977854 0.614592
N 0.742715 -1.244767 -0.172065
N -1.796000 0.071019 0.562561
N 4.207807 0.296161 -0.251561
C -0.454387 -1.308069 -1.060690
C 0.284535 -1.186894 1.248791
C -1.153318 -2.674765 -0.832947
C -0.360858 -2.552312 1.601342
C -1.379502 -0.075293 -0.855285
C -0.641470 0.042352 1.495585
C -1.524937 -2.928201 0.650478
C 1.793189 -0.269386 -0.544305
C 3.213966 -0.826567 -0.224770
C -2.654070 1.257179 0.780047
C 3.535820 -1.954402 -1.221890
C 5.622363 -0.109829 -0.469743
C 4.136175 1.127148 0.982541
C -4.029367 1.143600 0.127482
C 6.511611 1.138687 -0.592853
C 5.039173 2.363799 0.852926
C -4.628380 2.269568 -0.488643
C -4.753449 -0.074862 0.172739
C -5.927861 2.186302 -1.040899
C -6.048936 -0.163676 -0.381466
C -6.643426 0.968418 -0.988530
H -0.097747 -1.276810 -2.108847
H 1.176714 -1.053020 1.891872
H -2.058169 -2.740663 -1.468446
H -0.448712 -3.458104 -1.174770
H 0.439228 -3.314484 1.527125
H -0.714789 -2.541720 2.651242
H -0.833757 0.841857 -1.205932
H -2.286370 -0.172405 -1.480181
H -0.024173 0.976390 1.402302
H -1.027465 0.014473 2.533289
H -2.406920 -2.318900 0.908800
H -1.793821 -3.993562 0.791884
H 1.657073 0.723461 -0.060213
H 1.741387 -0.088448 -1.634869
H 3.183758 -1.281722 0.799754
H -2.158230 2.198584 0.424819
H -2.782858 1.366102 1.876772
H 2.669552 -2.638977 -1.235029
H 4.429788 -2.537724 -0.940362
H 3.681330 -1.550797 -2.242061
H 6.005858 -0.746483 0.368066
H 5.703708 -0.690183 -1.404187
H 4.453881 0.537090 1.880474
H 3.095828 1.459546 1.151525
H 7.573831 0.859615 -0.693524
H 6.193874 1.730639 -1.478780
H 4.678131 3.000342 0.016005
H 5.050263 2.949288 1.787554
H -4.074705 3.215955 -0.538563
H -4.280883 -0.947546 0.637155
H -6.377259 3.066729 -1.514470
H -6.596392 -1.112498 -0.339723
H -7.649353 0.900512 -1.418118


