%chk=000122114.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122114

0 1
 O   -2.283200       1.133300      0.1864000    
 O   -1.676000       2.710000      -1.396100    
 O  -4.5200001E-02  -2.114700       2.627300    
 O    3.153400      -1.549200     -0.9177000    
 O    3.501900      0.1520000      -2.272400    
 N    1.871000       2.009000       1.255200    
 N    2.995200     -0.3738000      -1.272700    
 N   0.3331000      -1.097900       1.767400    
 N  -0.7000000      -3.136500       1.961500    
 C   0.7028000      0.5133000     -0.8714000    
 C  -5.1800001E-02   1.593900     -7.9400003E-02
 C    2.159000      0.4441000     -0.4608000    
 C   3.9299998E-02 -0.8201000     -0.6806000    
 C   0.5443000       2.270100      0.9327000    
 C    2.698700       1.142600      0.5550000    
 C  -8.2000002E-02  -1.473500      0.5512000    
 C   -1.421200       1.897800     -0.5263000    
 C  -0.5124000      -1.498400      -1.774100    
 C  -0.1158000       3.319000       1.787100    
 C    4.127000       1.105200       1.026300    
 C  -0.7386000      -2.769400      0.6745000    
 C   -1.151900      -2.760100      -1.654000    
 C   -1.289800      -3.442300     -0.4314000    
 C   -3.665700       1.315800     -0.1365000    
 C   -3.880500       1.006700      -1.610300    
 C   -4.511300      0.4232000      0.7590000    
 H   0.6646000      0.8108000      -1.929300    
 H    2.280000       2.534400       2.019700    
 H  -0.4592000      -1.053900      -2.767200    
 H   0.4130000       4.273200       1.689800    
 H  -9.3500003E-02   3.017300       2.839800    
 H   -1.161500       3.492600       1.517800    
 H    4.751100      0.4073000      0.4616000    
 H    4.168000      0.8023000       2.078200    
 H    4.579700       2.098600      0.9365000    
 H   -1.556000      -3.221100      -2.554200    
 H   -3.941600       2.357700      6.9700003E-02
 H   -1.781200      -4.404200     -0.3593000    
 H   -4.944600      0.8473000      -1.818300    
 H   -3.569500       1.818100      -2.272500    
 H   -3.336300      0.1057000      -1.913100    
 H   -5.579600      0.5549000      0.5630000    
 H   -4.318200      0.6493000       1.813200    
 H   -4.253200     -0.6316000      0.6120000    


%chk=000122114-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122114

0 1
O -2.574556 1.922923 0.165124
O -1.883584 0.904571 -1.811127
O 0.583524 -2.761159 2.329984
O 4.382177 0.508667 -1.404478
O 2.650469 -0.071984 -2.778764
N 1.514827 1.473828 1.522663
N 3.108205 0.343044 -1.630289
N 0.703012 -1.544867 1.550823
N 0.223769 -3.893928 1.514243
C 0.687722 0.348151 -0.955228
C -0.269551 1.135295 -0.042220
C 2.142750 0.625045 -0.595324
C 0.381218 -1.159198 -0.932220
C 0.151878 1.590424 1.192288
C 2.526916 1.086354 0.655885
C 0.418575 -1.941493 0.277597
C -1.614830 1.296257 -0.639764
C 0.057272 -1.853769 -2.095745
C -0.655783 2.231338 2.296889
C 3.930145 1.245662 1.189265
C 0.127679 -3.373637 0.259031
C -0.229331 -3.270639 -2.114390
C -0.201365 -4.047299 -0.960800
C -3.953944 2.084086 -0.433209
C -4.722651 0.764662 -0.276218
C -4.580601 3.264032 0.313224
H 0.517969 0.671034 -1.996343
H 1.782116 1.705119 2.480795
H 0.021148 -1.296760 -3.036586
H -0.225877 3.210970 2.580724
H -0.636812 1.579093 3.192451
H -1.696761 2.373289 1.989583
H 4.486151 2.008091 0.618219
H 4.504374 0.312796 1.075162
H 3.909961 1.535726 2.256035
H -0.472454 -3.738056 -3.074262
H -3.812153 2.313733 -1.505151
H -0.414642 -5.118868 -0.965594
H -5.744654 0.875478 -0.683069
H -4.220599 -0.048012 -0.826526
H -4.801904 0.484468 0.789281
H -5.585285 3.472850 -0.096732
H -3.964784 4.172988 0.202733
H -4.687435 3.038495 1.389343


