%chk=000122104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122104

0 1
 O    2.034600     -0.2111000       2.049900    
 O    3.297900      0.8682000      -1.191900    
 O   -2.551800     -0.1366000       1.069300    
 O    5.867600      0.1359000      0.1010000    
 O    5.686300     -0.8729000      -1.986100    
 O   -2.811400       1.341400       2.811800    
 N    3.137600      -1.227900     -0.1612000    
 N   2.1900000E-02  0.1164000      0.9271000    
 C    1.688700      -1.301500     -4.5100000E-02
 C    1.400400      -2.767600      0.2560000    
 C    2.656900      -3.234800      0.9877000    
 C    3.771200      -2.458800      0.3022000    
 C    1.292000     -0.4089000       1.091800    
 C    3.779400     -0.1799000     -0.7861000    
 C  -0.6040000      0.9893000       1.893800    
 C  -0.2538000       2.460700       1.627000    
 C    5.238800     -0.3583000     -0.9804000    
 C   -2.108100      0.7684000       1.986000    
 C  -0.7648000       3.003000      0.3113000    
 C   -2.026000       3.595300      0.2436000    
 C   2.4800001E-02   2.910800     -0.8349000    
 C   -3.955100     -0.4165000       1.101400    
 C   -2.497300       4.095300     -0.9703000    
 C  -0.4466000       3.411000      -2.048800    
 C   -1.707500       4.003100      -2.116500    
 C   -4.278000      -1.424500      3.7900001E-02
 C    7.294800      4.3900002E-02  6.8200000E-02
 C   -4.624000     -0.9985000      -1.244500    
 C   -4.231700      -2.787400      0.3312000    
 C   -4.924000      -1.935400      -2.233500    
 C   -4.531600      -3.724200     -0.6578000    
 C   -4.877700      -3.298100      -1.940200    
 H    1.225600     -0.9661000     -0.9797000    
 H    1.300700      -3.326200     -0.6827000    
 H   0.4938000      -2.926800      0.8476000    
 H    2.598400      -2.955400       2.046300    
 H    2.803600      -4.317100      0.9323000    
 H    4.148600      -2.995800     -0.5750000    
 H    4.607200      -2.237800      0.9719000    
 H  -0.5052000     -0.1149000      8.9800000E-02
 H  -0.2041000      0.7117000       2.877600    
 H  -0.6506000       3.084800       2.439000    
 H   0.8357000       2.595000       1.664700    
 H   -2.650700       3.678900       1.128500    
 H    1.009600       2.454400     -0.7953000    
 H   -4.520700      0.5080000      0.9306000    
 H   -4.232900     -0.8061000       2.088700    
 H   -3.478900       4.557100      -1.023000    
 H   0.1685000       3.339500      -2.941000    
 H   -2.074500       4.392600      -3.061500    
 H    7.605200      -1.004000      1.2600000E-02
 H    7.691800      0.6095000     -0.7803000    
 H    7.685300      0.4772000      0.9928000    
 H   -4.660700      6.0600001E-02  -1.486000    
 H   -3.961000      -3.131700       1.325800    
 H   -5.192600      -1.603800      -3.232200    
 H   -4.494700      -4.785500     -0.4298000    
 H   -5.110800      -4.027600      -2.710300    


%chk=000122104-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122104

0 1
O 2.060032 -0.331238 2.589161
O 2.542215 0.123903 -1.019653
O -2.556437 -0.395033 1.298655
O 5.134961 0.899161 -1.427847
O 5.828365 -1.290475 -1.055594
O -2.850395 1.117939 3.053181
N 3.256848 -1.660719 0.277887
N 0.054045 -0.397888 1.414440
C 1.859840 -1.923633 0.709902
C 1.976772 -3.272821 1.472789
C 3.403797 -3.222946 2.073142
C 4.243712 -2.551530 0.962713
C 1.350783 -0.794934 1.641646
C 3.481571 -0.611660 -0.577902
C -0.579260 0.626089 2.250779
C -0.209589 2.093424 1.810809
C 4.938801 -0.404697 -1.024432
C -2.099749 0.480598 2.282194
C -0.761141 2.488331 0.449513
C -1.980399 3.211720 0.355105
C -0.082100 2.130415 -0.745982
C -4.047957 -0.497122 1.122346
C -2.513596 3.570456 -0.904065
C -0.617966 2.487833 -2.005159
C -1.833087 3.207728 -2.090526
C -4.317869 -0.975009 -0.283377
C 6.493943 1.214527 -1.936737
C -3.884672 -0.206614 -1.395332
C -5.026688 -2.180445 -0.507488
C -4.157125 -0.643260 -2.709260
C -5.308820 -2.612615 -1.823979
C -4.872936 -1.845070 -2.927857
H 1.207117 -1.988553 -0.179675
H 1.881814 -4.107891 0.754446
H 1.191454 -3.384650 2.238244
H 3.404152 -2.589468 2.975687
H 3.792426 -4.221725 2.333040
H 4.650015 -3.282987 0.241866
H 5.086562 -1.964754 1.360873
H -0.471224 -0.738041 0.605904
H -0.195999 0.501468 3.280856
H -0.595919 2.767459 2.596414
H 0.893410 2.145374 1.827882
H -2.506397 3.501059 1.273448
H 0.865212 1.581218 -0.700177
H -4.465391 0.505183 1.328678
H -4.426033 -1.201469 1.883480
H -3.449674 4.138274 -0.958894
H -0.076627 2.210932 -2.916930
H -2.238063 3.494808 -3.067964
H 7.253229 0.973634 -1.173834
H 6.697865 0.632451 -2.851045
H 6.464948 2.291641 -2.147803
H -3.330098 0.725024 -1.232552
H -5.359433 -2.782762 0.347047
H -3.814238 -0.045860 -3.561302
H -5.861427 -3.544628 -1.986478
H -5.087481 -2.179854 -3.948980


