%chk=000038288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038288

0 1
 O  -0.5292000       1.873700     -0.2810000    
 O   -3.015100       3.171900     -9.8200001E-02
 O    3.434100     -0.5958000      4.0199999E-02
 O    3.789100      -3.348400      0.1993000    
 N   -3.041900     -0.4543000      0.6311000    
 C   -3.532800      -1.598200     -0.1444000    
 C   -3.234600      0.7831000     -0.1060000    
 C   -2.729500       2.000700      0.6717000    
 C   -3.317900      -2.873700      0.6770000    
 C   -5.026500      -1.395800     -0.4203000    
 C   -2.760000      -1.686000      -1.465800    
 C   -1.229800       1.955900      0.9563000    
 C   0.8381000       1.839500     -0.2126000    
 C    1.540400      0.6262000     -0.1152000    
 C    2.929400      0.6669000     -4.9800001E-02
 C    1.191700     -0.7489000     -6.0699999E-02
 C    1.563600       3.037800     -0.2398000    
 C    2.374200      -1.445600      3.2800000E-02
 C    3.678900       1.841700     -7.4600004E-02
 C    2.959000       3.036200     -0.1718000    
 C    2.639500      -2.841200      0.1180000    
 C    1.479300      -3.845600      0.1138000    
 H   -2.053200     -0.5873000      0.8382000    
 H   -2.734500      0.7905000      -1.079500    
 H   -4.294100      0.9789000     -0.3011000    
 H   -3.269300       2.094500       1.621600    
 H   -3.850300      -2.826200       1.634300    
 H   -3.682300      -3.757000      0.1402000    
 H   -2.255100      -3.035100      0.8936000    
 H   -5.233600     -0.6435000      -1.188700    
 H   -5.575700      -1.126600      0.4899000    
 H   -5.470400      -2.328200     -0.7917000    
 H   -1.677400      -1.637900      -1.313200    
 H   -2.964700      -2.646100      -1.956300    
 H   -3.042800     -0.9176000      -2.192600    
 H  -0.9660000       1.112400       1.603300    
 H  -0.9341000       2.883900       1.461700    
 H   -3.979700       3.221500     -0.2114000    
 H   0.1984000      -1.171600     -7.8100003E-02
 H    1.037500       3.986600     -0.3157000    
 H    4.761000       1.832300     -2.1600001E-02
 H    3.496000       3.981200     -0.1951000    
 H   0.8288000      -3.658000      0.9722000    
 H    1.870100      -4.864900      0.1844000    
 H   0.9142000      -3.749200     -0.8172000    


%chk=000038288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038288

0 1
O -0.451687 0.610260 1.123004
O -2.116516 3.299460 0.257181
O 3.814265 -0.430304 -0.554692
O 5.024834 -2.977533 -0.573246
N -3.239229 -0.317403 0.308750
C -4.102195 -1.268148 -0.467144
C -2.921938 0.995873 -0.288517
C -2.558673 2.008443 0.824174
C -4.132197 -2.582754 0.350399
C -5.540189 -0.700333 -0.567713
C -3.541951 -1.553036 -1.893152
C -1.438848 1.514321 1.756853
C 0.695281 1.132476 0.508420
C 1.729520 0.189157 0.243570
C 2.927664 0.644375 -0.383926
C 1.896274 -1.223560 0.468408
C 0.892766 2.478472 0.139255
C 3.154227 -1.575030 -0.020330
C 3.163219 1.978126 -0.753201
C 2.114785 2.881307 -0.475449
C 3.868323 -2.864730 -0.072374
C 3.123300 -4.063770 0.515953
H -2.365125 -0.781056 0.598691
H -2.085586 0.973743 -1.023143
H -3.815901 1.374890 -0.819703
H -3.454116 2.168175 1.462947
H -4.535372 -2.395257 1.361179
H -4.762389 -3.340019 -0.148802
H -3.114477 -3.006635 0.456616
H -5.584420 0.213080 -1.189626
H -5.921307 -0.454781 0.439000
H -6.213061 -1.444455 -1.031150
H -2.526471 -1.988818 -1.834609
H -4.189853 -2.264092 -2.438903
H -3.480827 -0.625740 -2.492679
H -1.885550 0.884042 2.541259
H -0.928279 2.379350 2.218945
H -2.789416 3.624669 -0.391861
H 1.178403 -1.893311 0.936127
H 0.087736 3.205432 0.279294
H 4.096823 2.289116 -1.226948
H 2.233695 3.934906 -0.750580
H 2.877165 -3.896285 1.580589
H 3.764068 -4.954302 0.428928
H 2.176026 -4.245618 -0.024595


