%chk=000037701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037701

0 1
 O  -8.6900003E-02   1.374100      -1.548300    
 N  -0.3319000     -0.7431000     -0.5389000    
 N   -4.456300      0.4839000      0.1066000    
 C    1.888600     -1.0200000E-02  -1.011500    
 C    1.855600      -1.374800     -0.3493000    
 C   0.3733000      0.3385000      -1.087300    
 C   0.5348000      -1.752200     -9.9500000E-02
 C   -1.770800     -0.8082000     -0.4397000    
 C    2.597100       1.006800     -0.1740000    
 C    2.480400     -6.4300001E-02  -2.417000    
 C   -2.283500     -0.3745000      0.9323000    
 C    2.907300      -2.209400     -4.6000001E-03
 C   -3.808300     -0.3945000       1.073100    
 C   0.2231000      -2.960900      0.4991000    
 C    3.969400       1.192700     -0.3223000    
 C    1.881500       1.763400      0.7507000    
 C    2.610100      -3.432700      0.6007000    
 C    1.278800      -3.804800      0.8507000    
 C   -4.012900       1.867200      0.2887000    
 C   -5.912800      0.3979000      0.2270000    
 C    4.630200       2.140700      0.4590000    
 C    2.542100       2.711600       1.531900    
 C    3.916500       2.900100       1.386000    
 C   -4.629700       2.783300     -0.7546000    
 C   -6.395700      -1.030600      4.1299999E-02
 H   -2.106800      -1.822600     -0.6832000    
 H   -2.180800     -0.1473000      -1.211800    
 H    2.554200      0.9328000      -2.868500    
 H    3.468100     -0.5366000      -2.456900    
 H    1.837700     -0.6573000      -3.081200    
 H   -1.857700      0.5946000       1.215900    
 H   -1.882200      -1.068400       1.683700    
 H    3.937700      -1.931900     -0.1973000    
 H   -4.078100     -0.1243000       2.102400    
 H   -4.101100      -1.439200      0.9253000    
 H  -0.7993000      -3.260800      0.6986000    
 H    4.567400      0.6095000      -1.014500    
 H   0.8185000       1.634600      0.9280000    
 H    3.416300      -4.105300      0.8809000    
 H    1.069700      -4.761100       1.322700    
 H   -4.240800       2.242300       1.294300    
 H   -2.932800       1.957600      0.1411000    
 H   -6.268300      0.7840000       1.190800    
 H   -6.399300      0.9793000     -0.5629000    
 H    5.701200       2.284100      0.3498000    
 H    1.988400       3.297700       2.259600    
 H    4.431300       3.636100       1.996500    
 H   -4.531900       2.371900      -1.765200    
 H   -5.685000       2.994100     -0.5560000    
 H   -4.112900       3.749800     -0.7454000    
 H   -5.943300      -1.503600     -0.8373000    
 H   -6.209000      -1.654400      0.9208000    
 H   -7.481000      -1.031900     -0.1129000    


%chk=000037701-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037701

0 1
O -0.341251 1.039461 -1.562471
N -0.460235 -0.941600 -0.277030
N -4.380673 0.699136 0.249060
C 1.751337 -0.232579 -0.906761
C 1.775392 -1.557102 -0.148684
C 0.214083 0.071413 -0.976175
C 0.447685 -1.917754 0.208894
C -1.918522 -0.957745 -0.099174
C 2.459205 0.941614 -0.186828
C 2.294510 -0.399110 -2.358145
C -2.364213 -0.407553 1.275579
C 2.837976 -2.414008 0.174192
C -3.896456 -0.196347 1.327573
C 0.159165 -3.105375 0.907602
C 2.415921 2.237397 -0.769400
C 3.141888 0.775688 1.044272
C 2.569630 -3.621092 0.873637
C 1.244491 -3.954803 1.239091
C -4.039038 2.134197 0.463650
C -5.812061 0.500358 -0.095911
C 3.056770 3.329430 -0.147078
C 3.785553 1.870552 1.666872
C 3.751537 3.150898 1.072351
C -3.758819 2.876810 -0.857808
C -6.078537 -0.796379 -0.885178
H -2.289963 -1.989801 -0.250363
H -2.360246 -0.316722 -0.881057
H 2.117746 0.518566 -2.943355
H 3.379783 -0.600077 -2.333913
H 1.791244 -1.239105 -2.868788
H -1.840607 0.550524 1.453014
H -2.066221 -1.090436 2.095435
H 3.864922 -2.158801 -0.110855
H -4.175504 0.178885 2.345140
H -4.395645 -1.176621 1.208246
H -0.865246 -3.374695 1.183678
H 1.849043 2.394874 -1.692429
H 3.168215 -0.206525 1.525344
H 3.392416 -4.295971 1.132036
H 1.050031 -4.886428 1.782348
H -4.846577 2.653960 1.036881
H -3.131265 2.185989 1.091503
H -6.461675 0.526906 0.817277
H -6.120659 1.358057 -0.721693
H 3.008414 4.321229 -0.610881
H 4.310255 1.720071 2.617447
H 4.251571 3.998826 1.554025
H -2.885311 2.429818 -1.363407
H -4.623319 2.823635 -1.545381
H -3.546960 3.945810 -0.665158
H -5.465380 -0.812511 -1.803241
H -5.838741 -1.700891 -0.296755
H -7.145456 -0.860374 -1.169828


