%chk=000037526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037526

0 1
 O   -4.031300       1.896100      0.4349000    
 O    2.248400      0.1689000      0.1833000    
 O    1.067800      0.2856000      -1.799000    
 O   -4.118200      -3.134500     -7.8400001E-02
 N  -0.3953000       2.148800     -0.1244000    
 C  -9.7000003E-03  0.7863000      0.3011000    
 C   -1.716900       2.507100      0.3994000    
 C   -2.791100       1.598800     -0.2036000    
 C   -1.120000     -0.2489000      0.1989000    
 C   -2.453700      0.1385000     -2.9100001E-02
 C    1.141500      0.3887000     -0.5820000    
 C   0.5901000       3.147500      0.3080000    
 C  -0.8283000      -1.612000      0.3847000    
 C   -3.450100     -0.8448000     -0.1409000    
 C   -3.139800      -2.194000      2.2200000E-02
 C   -1.830800      -2.576900      0.2936000    
 C    3.424400     -0.2192000     -0.5337000    
 C    4.560300     -0.4239000      0.4587000    
 C    5.855200     -0.8254000     -0.2419000    
 C    6.997500     -0.9868000      0.7483000    
 H   0.3021000      0.8032000       1.355100    
 H   -1.967000       3.544500      0.1400000    
 H   -1.738500       2.457000       1.497700    
 H   -2.902400       1.799900      -1.276600    
 H    1.575400       2.953000     -0.1284000    
 H   0.6947000       3.178400       1.398600    
 H   0.2984000       4.146300     -3.6499999E-02
 H   0.1878000      -1.934100      0.5997000    
 H   -4.478000     -0.5590000     -0.3525000    
 H   -1.574900      -3.623700      0.4333000    
 H   -4.232500       2.832000      0.2633000    
 H    3.686200      0.5687000      -1.249600    
 H    3.226000      -1.150500      -1.077000    
 H    4.271100      -1.187700       1.191300    
 H    4.709300      0.4996000       1.032300    
 H    6.129200     -6.5700002E-02 -0.9832000    
 H    5.709400      -1.768100     -0.7820000    
 H   -3.726400      -4.013400      6.2899999E-02
 H    7.190900     -5.0000001E-02   1.280500    
 H    6.769100      -1.761300       1.487400    
 H    7.914500      -1.275900      0.2254000    


%chk=000037526-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037526

0 1
O -4.216861 1.449801 -0.405620
O 2.258494 0.377890 0.223954
O 1.294902 1.319305 -1.679619
O -3.413015 -3.381184 0.185129
N -0.647350 2.508116 0.134897
C 0.022954 1.250011 0.486575
C -2.102226 2.557895 0.335093
C -2.751071 1.464089 -0.540785
C -0.897165 0.021260 0.407550
C -2.220093 0.110031 -0.106275
C 1.222733 1.018979 -0.471993
C 0.101613 3.707515 0.528433
C -0.419336 -1.232491 0.855501
C -3.038469 -1.036278 -0.165711
C -2.541350 -2.279681 0.275779
C -1.227191 -2.385470 0.792020
C 3.453941 0.000272 -0.589879
C 4.423775 -0.731757 0.336926
C 5.714961 -1.152289 -0.405646
C 6.704264 -1.901871 0.511660
H 0.461046 1.282761 1.514529
H -2.451366 3.556984 0.010002
H -2.429742 2.412131 1.393314
H -2.458044 1.660395 -1.594754
H 1.121163 3.671360 0.102895
H 0.193231 3.833384 1.636094
H -0.394574 4.605224 0.120021
H 0.598241 -1.305292 1.254359
H -4.066080 -0.953462 -0.525300
H -0.840948 -3.349976 1.146482
H -4.586164 2.243029 -0.868606
H 3.893615 0.924132 -1.010361
H 3.118043 -0.632932 -1.432205
H 3.925071 -1.627289 0.756080
H 4.679506 -0.075723 1.191363
H 6.208283 -0.252210 -0.825553
H 5.451641 -1.795571 -1.269786
H -2.977001 -4.201869 0.524543
H 7.008690 -1.270773 1.367586
H 6.247436 -2.823018 0.919562
H 7.618842 -2.192328 -0.036454


