%chk=000031081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031081

0 1
 O    3.420800      -2.090600     -0.3782000    
 O   0.8391000       1.492100     -0.4200000    
 O  -0.3166000     -0.4779000     -0.1328000    
 O   -2.702200      7.2999999E-02   1.045200    
 N    4.393900      0.8899000       1.388400    
 C    3.607400     -0.3588000       1.352900    
 C    4.585400       1.190000     -4.3800000E-02
 C    4.305600      -1.199700      0.2743000    
 C    4.895200     -0.1672000     -0.6934000    
 C    2.164700      5.4900002E-02  0.9935000    
 C    3.247200       1.769300     -0.5419000    
 C    2.076700      0.7936000     -0.3497000    
 C    5.655400      0.7536000       2.111200    
 C    4.072000      -2.816500      -1.415000    
 C  -0.2831000      0.7318000     -0.2963000    
 C    3.076100      -3.757600      -2.058700    
 C   -1.501600       1.575200     -0.3880000    
 C   -2.647400       1.203800      0.2865000    
 C   -1.443200       2.720300      -1.158200    
 C   -3.781500       2.009900      0.1871000    
 C   -2.577300       3.526300      -1.257500    
 C   -3.746500       3.171100     -0.5849000    
 C   -3.631900     -0.8905000      0.6949000    
 C   -3.770400      -1.241900     -0.6362000    
 C   -4.400200      -1.477800       1.684300    
 C   -4.708100      -2.212300     -0.9894000    
 C   -5.337800      -2.448200       1.331200    
 C   -5.491800      -2.815500     -5.5999998E-03
 H    3.590900     -0.8745000       2.320200    
 H    5.379700       1.923600     -0.2222000    
 H    5.116700      -1.780700      0.7332000    
 H    5.980800     -0.3106000     -0.7541000    
 H    4.495800     -0.1962000      -1.710500    
 H    1.560200     -0.8564000       1.002000    
 H    1.759000      0.6897000       1.793800    
 H    3.320500       2.038300      -1.603100    
 H    3.032200       2.709600     -1.5699999E-02
 H    2.099500      6.9600001E-02  -1.174200    
 H    6.189000       1.710500       2.113500    
 H    5.462800      0.4999000       3.159400    
 H    6.327700     -4.1999999E-03   1.696600    
 H    4.899400      -3.397100     -0.9913000    
 H    4.467200      -2.163800      -2.196800    
 H    2.235900      -3.197600      -2.482600    
 H    2.657900      -4.444000      -1.315000    
 H    3.547000      -4.343300      -2.853300    
 H  -0.5520000       3.013900      -1.704800    
 H   -4.697700       1.754500      0.7130000    
 H   -2.551300       4.429000      -1.861000    
 H   -4.628900       3.799600     -0.6611000    
 H   -3.160500     -0.8016000      -1.419100    
 H   -4.281800      -1.192500       2.725300    
 H   -4.825300      -2.501500      -2.029800    
 H   -5.947900      -2.918000       2.097200    
 H   -6.221200      -3.571900     -0.2804000    


%chk=000031081-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031081

0 1
O 3.465012 -2.021689 0.265716
O 0.882643 1.458459 0.123074
O -0.249253 -0.435849 -0.661846
O -2.857993 -0.322666 0.438551
N 4.947211 1.271583 0.880043
C 4.220628 0.059151 1.369512
C 4.621887 1.242439 -0.585379
C 4.566635 -1.060567 0.317767
C 4.810120 -0.259932 -1.011223
C 2.705389 0.385932 1.400046
C 3.155129 1.718936 -0.746085
C 2.202061 0.758082 -0.009178
C 6.397625 1.283002 1.180993
C 3.763495 -3.237115 -0.508629
C -0.270593 0.742315 -0.235992
C 2.520799 -4.125404 -0.447841
C -1.484179 1.606888 -0.084410
C -2.775924 1.047484 0.125838
C -1.372927 3.017822 -0.211166
C -3.923475 1.874437 0.173181
C -2.511698 3.845839 -0.172507
C -3.790737 3.268431 0.014181
C -3.887975 -1.141283 -0.083617
C -4.492681 -0.912611 -1.341397
C -4.225865 -2.269709 0.695483
C -5.463112 -1.826953 -1.808777
C -5.194247 -3.175389 0.212243
C -5.821620 -2.957058 -1.037656
H 4.561567 -0.211644 2.383156
H 5.295031 1.923315 -1.134664
H 5.493660 -1.595305 0.620942
H 5.826634 -0.430857 -1.407235
H 4.087340 -0.563746 -1.789990
H 2.133801 -0.477474 1.779403
H 2.562801 1.244579 2.080198
H 2.880074 1.778864 -1.816250
H 3.069958 2.729093 -0.307064
H 2.030945 -0.166276 -0.587276
H 6.837357 2.221929 0.799882
H 6.536715 1.266925 2.276587
H 6.980489 0.432962 0.749156
H 4.650457 -3.747837 -0.069949
H 4.008235 -2.968963 -1.559540
H 1.646879 -3.587518 -0.854003
H 2.295910 -4.404391 0.595987
H 2.674974 -5.049386 -1.034691
H -0.375881 3.444039 -0.349874
H -4.903755 1.423929 0.356694
H -2.405645 4.929758 -0.283001
H -4.682855 3.902990 0.054931
H -4.199996 -0.051621 -1.950286
H -3.722874 -2.421408 1.655015
H -5.930862 -1.657803 -2.785161
H -5.458510 -4.052273 0.813589
H -6.573305 -3.661857 -1.408380


