%chk=000038491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038491

0 1
 O  -0.6100000      -1.296000     -1.4100000E-02
 N   -4.260200      -1.470400      0.3618000    
 C   0.4161000     -0.3461000      0.3786000    
 C   0.3539000     -0.3791000       1.923100    
 C    1.445400      0.3768000       2.673000    
 C   9.8999999E-03  0.9828000     -0.2822000    
 C    1.655900       1.817000       2.230700    
 C   0.3715000       2.507500       1.792300    
 C  -1.9099999E-02   2.244600      0.3539000    
 C    1.749700     -0.9258000     -0.1189000    
 C  -0.3593000      0.9261000      -1.652200    
 C  -0.4629000       3.370000     -0.3786000    
 C   -1.890800     -0.8568000      0.3984000    
 C    2.755700     -6.9899999E-02 -0.5603000    
 C    1.946700      -2.304600     -0.1255000    
 C  -0.7741000       2.053300      -2.359400    
 C  -0.8339000       3.278000      -1.717900    
 C   -2.925800      -1.873300     -5.6699999E-02
 C    3.966200     -0.5959000      -1.011700    
 C    3.157300      -2.830500     -0.5768000    
 C    4.167000      -1.976000      -1.019800    
 C   -5.253100      -2.470100     -3.9700001E-02
 C   -4.606100     -0.1616000     -0.1980000    
 H   0.3648000      -1.420400       2.276500    
 H  -0.5782000      4.1099999E-02   2.310600    
 H    2.398100     -0.1620000       2.605700    
 H    1.183100      0.3724000       3.739500    
 H    2.417600       1.880900       1.448800    
 H    2.074700       2.363000       3.086400    
 H   0.5448000       3.585200       1.916100    
 H  -0.4694000       2.267400       2.453400    
 H  -0.3245000     -2.0600000E-02  -2.189500    
 H  -0.5143000       4.347000      9.8999999E-02
 H   -1.993600     -0.8336000       1.485100    
 H   -2.139600      0.1219000     -4.1999999E-03
 H    2.636000       1.007700     -0.5809000    
 H    1.181900      -2.991200      0.2259000    
 H   -1.052800       1.968100      -3.405200    
 H   -1.162500       4.162500      -2.254800    
 H   -2.860800      -2.001600      -1.145900    
 H   -2.669000      -2.848700      0.3773000    
 H    4.751700      6.8800002E-02  -1.359000    
 H    3.315200      -3.905100     -0.5806000    
 H    5.109600      -2.385600      -1.371000    
 H   -5.014400      -3.446000      0.3976000    
 H   -5.307800      -2.583300      -1.128500    
 H   -6.247400      -2.197000      0.3308000    
 H   -5.671100      5.0500002E-02 -4.1200001E-02
 H   -4.413700     -0.1002000      -1.275400    
 H   -4.085500      0.6534000      0.3142000    


%chk=000038491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038491

0 1
O -0.700342 -1.195626 0.063322
N -4.401707 -1.714765 0.137839
C 0.367783 -0.213193 0.476776
C 0.393829 -0.186003 2.031924
C 1.637614 0.452896 2.688833
C 0.056582 1.146534 -0.195512
C 1.939715 1.897918 2.214419
C 0.666852 2.697384 1.837766
C 0.153816 2.433434 0.418684
C 1.656598 -0.865331 -0.064499
C -0.373325 1.064609 -1.550111
C -0.207338 3.575572 -0.351735
C -2.067818 -0.893600 0.520516
C 2.664208 -0.121964 -0.725003
C 1.862644 -2.254217 0.144303
C -0.723519 2.205088 -2.295563
C -0.647999 3.478285 -1.686217
C -2.995540 -1.780746 -0.325138
C 3.855801 -0.747210 -1.159379
C 3.049625 -2.880937 -0.291150
C 4.055843 -2.128464 -0.942117
C -5.197618 -2.870100 -0.323935
C -5.061784 -0.433489 -0.189011
H 0.321103 -1.239136 2.364989
H -0.519250 0.322154 2.394906
H 2.521730 -0.187252 2.509913
H 1.463889 0.455989 3.783436
H 2.615062 1.877013 1.339349
H 2.483877 2.432889 3.016263
H 0.882727 3.779203 1.918683
H -0.126976 2.494650 2.585673
H -0.439784 0.069298 -2.001893
H -0.130806 4.564955 0.116380
H -2.197148 -1.147270 1.591159
H -2.288732 0.183076 0.374400
H 2.513402 0.945278 -0.918987
H 1.072707 -2.841036 0.622736
H -1.049255 2.103591 -3.336701
H -0.917324 4.382052 -2.244564
H -2.885180 -1.500459 -1.403324
H -2.643916 -2.824031 -0.224192
H 4.622741 -0.155304 -1.672023
H 3.188395 -3.956072 -0.128484
H 4.977956 -2.614223 -1.281186
H -4.722517 -3.808787 0.012009
H -5.311409 -2.918394 -1.437442
H -6.209783 -2.822793 0.117379
H -6.082696 -0.427372 0.233119
H -5.140716 -0.250696 -1.291804
H -4.509119 0.411202 0.255890


