%chk=000037957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037957

0 1
 O    1.707600      0.2676000     -0.7139000    
 O   0.2685000       1.019100      0.8968000    
 O   -5.922700     -0.8168000     -2.4100000E-02
 N    3.991600      -1.201200      0.3013000    
 N  -0.4546000     -0.2874000     -0.9062000    
 C    4.083300      0.1342000     -0.2962000    
 C    2.785700      0.9167000     -4.1800000E-02
 C    5.302100      0.8750000      0.2682000    
 C    2.889000       2.352300     -0.5631000    
 C    5.389300       2.303000     -0.2654000    
 C    4.103600       3.078600      1.3000000E-03
 C    3.851800      -1.099800       1.752200    
 C    5.167600      -1.995300     -4.7600001E-02
 C    3.754900      -2.474400       2.391900    
 C    5.293600      -2.157700      -1.553000    
 C   0.4692000      0.3926000     -0.1365000    
 C   -1.843900     -0.4206000     -0.6830000    
 C   -2.626900      -1.152100      -1.576000    
 C   -2.431800      0.1783000      0.4312000    
 C   -3.997700      -1.284700      -1.355100    
 C   -3.802600      4.5699999E-02  0.6523000    
 C   -4.585600     -0.6857000     -0.2409000    
 C   -6.578800      0.2537000      0.6537000    
 C   -8.026600      0.3144000      0.1915000    
 C   -8.786800       1.444300      0.8624000    
 H    4.169400      5.8200002E-02  -1.386300    
 H    2.587700       1.012400       1.029900    
 H    5.283500      0.9789000       1.355900    
 H    6.243300      0.3841000      2.2000000E-03
 H    2.939400       2.342000      -1.660000    
 H    1.977500       2.910400     -0.3176000    
 H    6.235400       2.821900      0.1995000    
 H    5.584800       2.278500      -1.344700    
 H    4.176500       4.076800     -0.4448000    
 H    3.977100       3.219600       1.081700    
 H    2.923100     -0.6000000       2.036500    
 H    4.678000     -0.5978000       2.261300    
 H    5.036400      -3.019500      0.3199000    
 H    6.106400      -1.641000      0.3911000    
 H    3.027500      -3.112100       1.877600    
 H    4.719600      -2.990500       2.429700    
 H    3.417900      -2.373300       3.430200    
 H    5.997300      -2.967900      -1.776200    
 H    5.689700      -1.261500      -2.040100    
 H    4.337500      -2.423900      -2.016900    
 H  -9.3900003E-02 -0.7504000      -1.736900    
 H   -2.181300      -1.624000      -2.447900    
 H   -1.888400      0.7529000       1.168400    
 H   -4.602600      -1.855800      -2.054000    
 H   -4.216600      0.5032000       1.546100    
 H   -6.111600       1.220800      0.4260000    
 H   -6.535000      7.2600000E-02   1.734000    
 H   -8.519800     -0.6424000      0.4007000    
 H   -8.060700      0.4388000     -0.8976000    
 H   -8.795000       1.320000       1.950000    
 H   -8.335000       2.414000      0.6305000    
 H   -9.824500       1.461900      0.5149000    


%chk=000037957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037957

0 1
O 2.141354 1.413297 -1.073247
O 0.758268 1.506791 0.844973
O -5.459676 -0.612545 -0.632178
N 3.286949 -0.737025 0.542728
N 0.018256 0.685498 -1.249647
C 4.122483 0.305468 -0.111865
C 3.364701 1.650001 -0.261015
C 5.510771 0.554727 0.558965
C 4.191172 2.703378 -1.017907
C 6.344487 1.596594 -0.221957
C 5.568443 2.928125 -0.349702
C 3.143392 -0.604767 2.017853
C 3.603281 -2.113122 0.078390
C 1.857492 -1.262323 2.555705
C 2.968271 -2.443914 -1.287986
C 0.943282 1.207775 -0.363207
C -1.353377 0.390554 -1.013645
C -2.100997 -0.164632 -2.089008
C -1.996842 0.620551 0.227445
C -3.458812 -0.483928 -1.929367
C -3.363328 0.299150 0.387332
C -4.100909 -0.254861 -0.687071
C -6.172380 -0.400242 0.639772
C -7.613110 -0.873817 0.431885
C -8.458999 -0.710892 1.713746
H 4.313656 -0.048056 -1.145693
H 3.047197 2.033569 0.727858
H 5.363636 0.916797 1.596268
H 6.055641 -0.406912 0.629024
H 4.336407 2.354720 -2.060039
H 3.616834 3.646766 -1.068978
H 7.315337 1.764534 0.283219
H 6.572596 1.206821 -1.235745
H 6.150222 3.662720 -0.938218
H 5.427227 3.367354 0.659309
H 3.090320 0.473042 2.255893
H 4.030539 -1.014645 2.562806
H 3.210011 -2.822668 0.827961
H 4.706595 -2.291776 0.031932
H 0.976077 -0.789122 2.092581
H 1.824015 -2.348419 2.351745
H 1.794409 -1.127945 3.652282
H 3.224356 -3.474848 -1.598763
H 3.319667 -1.755853 -2.078708
H 1.869880 -2.352910 -1.222968
H 0.389632 0.483254 -2.179967
H -1.615949 -0.347493 -3.056225
H -1.427092 1.046438 1.055975
H -4.039644 -0.911761 -2.751923
H -3.834052 0.487686 1.356675
H -6.143587 0.676778 0.910271
H -5.677241 -0.980027 1.447708
H -7.596301 -1.933468 0.115524
H -8.060998 -0.297879 -0.399305
H -8.040022 -1.300403 2.550996
H -8.505760 0.346790 2.034940
H -9.494380 -1.056221 1.545672


