%chk=000059706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059706

0 1
 O   0.1328000       1.142800      -1.594500    
 O    6.527500      -3.389700     -0.9161000    
 O    5.854200      8.3700001E-02   3.053900    
 N    5.172400     -0.2099000      0.3284000    
 C   -2.440400      0.8977000     -0.3008000    
 C   -3.963600      0.7572000     -0.3148000    
 C   -1.988500       2.129000      -1.082900    
 C   -4.411700     -0.4955000      0.4412000    
 C  -0.4767000       2.299400      -1.038000    
 C    3.894700      0.1335000     -0.1603000    
 C   -5.913300     -0.6253000      0.4636000    
 C    5.597200      -1.595200      0.3628000    
 C    6.082700      0.8195000      0.7895000    
 C    1.375200      0.8095000      -1.120700    
 C    3.494200       1.469300     -0.1881000    
 C    3.030900     -0.8632000     -0.6144000    
 C    2.229900       1.808500     -0.6699000    
 C    1.766700     -0.5240000      -1.096200    
 C    6.106900      -2.034400      -1.000500    
 C    5.752900       1.227800       2.216300    
 C   -6.631600     -4.9899999E-02   1.501200    
 C   -6.552600      -1.318100     -0.5536000    
 C   -8.021100     -0.1700000       1.522000    
 C   -7.942200      -1.438300     -0.5328000    
 C   -8.676400     -0.8643000      0.5050000    
 H   -2.089800      0.9703000      0.7360000    
 H   -1.993400     -6.8999999E-03 -0.7301000    
 H   -4.319600      0.7123000      -1.351900    
 H   -4.416800       1.649000      0.1362000    
 H   -2.308600       2.021300      -2.126600    
 H   -2.467500       3.029200     -0.6812000    
 H   -3.971900      -1.390600     -1.7200001E-02
 H   -4.031300     -0.4713000       1.470600    
 H  -0.1874000       2.455800      9.4999997E-03
 H  -0.1903000       3.177600      -1.627500    
 H    4.826300      -2.271400      0.7520000    
 H    6.418200      -1.721500       1.082000    
 H    6.118300       1.683900      0.1172000    
 H    7.106000      0.4204000      0.7748000    
 H    4.119100       2.290900      0.1438000    
 H    3.280400      -1.918300     -0.6184000    
 H    1.967100       2.861400     -0.7019000    
 H    1.095600      -1.302300      -1.448600    
 H    6.963800      -1.425300      -1.308300    
 H    5.342100      -1.961300      -1.778700    
 H    4.741800       1.628700       2.322000    
 H    6.456900       1.984800       2.575800    
 H   -6.130700      0.4944000       2.296700    
 H   -5.989900      -1.767000      -1.367100    
 H   -8.593000      0.2774000       2.329700    
 H   -8.452600      -1.978300      -1.324900    
 H   -9.758400     -0.9576000      0.5210000    
 H    6.859600      -3.640700      -1.794900    
 H    6.775600     -0.2251000       3.019400    


%chk=000059706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059706

0 1
O 0.039451 0.581124 -0.804457
O 7.211663 -3.179505 -1.328573
O 6.989952 0.145247 2.906441
N 5.610500 -0.141223 0.147195
C -2.812617 0.782357 0.091270
C -4.319051 0.638915 -0.213875
C -2.090875 1.726520 -0.895007
C -5.045753 -0.303944 0.785888
C -0.597876 1.891534 -0.598320
C 4.231434 0.069514 -0.073969
C -6.534722 -0.425520 0.497930
C 6.202673 -1.483126 0.042138
C 6.477144 0.958218 0.583249
C 1.423595 0.488434 -0.546390
C 3.622019 1.344656 0.121744
C 3.377678 -0.992867 -0.515224
C 2.244845 1.554975 -0.115017
C 2.007235 -0.785671 -0.741254
C 6.603927 -1.841052 -1.402871
C 6.437743 1.246961 2.103973
C -7.460111 0.495949 1.054250
C -7.030174 -1.434253 -0.368837
C -8.838582 0.415385 0.753397
C -8.407701 -1.520097 -0.673664
C -9.318161 -0.593940 -0.113659
H -2.682045 1.164273 1.126136
H -2.324082 -0.210418 0.059279
H -4.458550 0.251047 -1.243261
H -4.805961 1.635421 -0.188318
H -2.208512 1.350191 -1.929923
H -2.559451 2.731802 -0.862264
H -4.565062 -1.301049 0.742207
H -4.886907 0.082899 1.812097
H -0.439575 2.222383 0.451144
H -0.136403 2.638437 -1.278749
H 5.511976 -2.252835 0.430822
H 7.101512 -1.534994 0.679078
H 6.214347 1.887822 0.038664
H 7.519722 0.718495 0.293361
H 4.210466 2.197228 0.472726
H 3.780460 -1.995237 -0.684742
H 1.833208 2.555014 0.052366
H 1.369053 -1.610019 -1.075587
H 7.329502 -1.092217 -1.787724
H 5.712233 -1.836651 -2.063056
H 5.396208 1.343474 2.448805
H 6.974463 2.199547 2.313183
H -7.096464 1.278424 1.732663
H -6.330422 -2.159777 -0.803001
H -9.537749 1.133904 1.196906
H -8.771144 -2.309428 -1.341943
H -10.387079 -0.660694 -0.345956
H 7.424787 -3.500576 -2.239784
H 7.956933 0.054845 2.708213


