%chk=000001240.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001240

0 1
 O    4.288100      -2.973900     -0.1281000    
 N  -0.4265000       1.460300     -0.7801000    
 C   0.6479000      0.6032000     -0.2813000    
 C   0.8410000     -0.5935000      -1.214700    
 C    1.957000       1.396600     -0.1684000    
 C    1.884400      -1.552100     -0.6403000    
 C    3.157500      0.5220000      0.1019000    
 C    3.135000     -0.8600000     -0.1600000    
 C   -1.674500      0.7055000     -0.8883000    
 C  -0.6041000       2.618800      9.4899997E-02
 C   -2.074100      0.1113000      0.4629000    
 C   -1.702800       3.529100     -0.4479000    
 C    4.340400       1.115400      0.5689000    
 C    4.284900      -1.626000      8.5500002E-02
 C    5.479400      0.3446000      0.7990000    
 C    5.450900      -1.026000      0.5598000    
 C   -3.348200     -0.6887000      0.3605000    
 C   -1.892900       4.754000      0.4334000    
 C   -4.566700     -5.7599999E-02  0.5609000    
 C   -3.280700      -2.042500      6.7900002E-02
 C   -5.745300     -0.7977000      0.4668000    
 C   -4.459200      -2.782600     -2.6400000E-02
 C   -5.691600      -2.160200      0.1731000    
 H   0.4486000      0.2383000      0.7336000    
 H    1.160800     -0.2500000      -2.207800    
 H  -5.5000000E-02  -1.202400      -1.355700    
 H    1.899300       2.111900      0.6605000    
 H    2.152000       1.954700      -1.093900    
 H    2.133600      -2.288500      -1.413800    
 H    1.448500      -2.094900      0.2083000    
 H   -2.488600       1.306600      -1.305300    
 H   -1.604100     -7.5800002E-02  -1.652600    
 H  -0.7837000       2.359100       1.144100    
 H   0.2968000       3.241800      8.4600002E-02
 H   -2.233500      0.8801000       1.226700    
 H   -1.325800     -0.5730000      0.8739000    
 H   -1.468500       3.849600      -1.470100    
 H   -2.681700       3.043200     -0.4653000    
 H    4.379600       2.185900      0.7558000    
 H    6.387900      0.8142000       1.164500    
 H    6.344200      -1.615500      0.7481000    
 H   -2.173400       4.466200       1.451800    
 H  -0.9743000       5.347300      0.4845000    
 H   -2.685500       5.392700      3.0900000E-02
 H    5.164200      -3.331300      9.6600004E-02
 H   -4.619100       1.003600      0.7874000    
 H   -2.326400      -2.536300     -9.2000000E-02
 H   -6.704900     -0.3130000      0.6212000    
 H   -4.417500      -3.843400     -0.2559000    
 H   -6.609200      -2.736400      9.9299997E-02


%chk=000001240-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001240

0 1
O 4.466121 -2.946053 0.136900
N -0.456003 1.370301 -0.453383
C 0.731731 0.566325 -0.009563
C 0.849581 -0.790144 -0.744015
C 2.035014 1.367628 -0.273596
C 2.013253 -1.631475 -0.179397
C 3.322799 0.568412 -0.095885
C 3.308328 -0.848542 -0.063104
C -1.716793 0.613985 -0.631075
C -0.621142 2.617782 0.345342
C -2.347435 -0.015732 0.664820
C -1.739115 3.557290 -0.155112
C 4.555107 1.263906 0.025355
C 4.540690 -1.535099 0.096067
C 5.768863 0.563434 0.170253
C 5.769364 -0.849358 0.207608
C -3.619930 -0.772869 0.336124
C -1.678949 4.930058 0.550283
C -4.874268 -0.107723 0.297923
C -3.580386 -2.150947 -0.005127
C -6.052695 -0.796254 -0.067320
C -4.755802 -2.844314 -0.371209
C -5.998084 -2.168964 -0.404527
H 0.671905 0.348817 1.090403
H 1.001350 -0.595297 -1.824144
H -0.077010 -1.382056 -0.642309
H 2.094598 2.253521 0.384556
H 1.969235 1.751784 -1.312614
H 2.177885 -2.525315 -0.808374
H 1.737680 -2.024975 0.821505
H -2.463334 1.287679 -1.087163
H -1.556163 -0.189292 -1.370148
H -0.790729 2.395956 1.432028
H 0.326008 3.183059 0.291445
H -2.559545 0.792421 1.391057
H -1.607258 -0.692366 1.133118
H -1.629455 3.686882 -1.249392
H -2.736951 3.109458 0.018541
H 4.556406 2.360239 0.004283
H 6.714346 1.109277 0.259762
H 6.709924 -1.403465 0.325633
H -1.764003 4.819230 1.648246
H -0.724322 5.447246 0.338092
H -2.500684 5.587859 0.214053
H 5.370251 -3.336980 0.227731
H -4.926003 0.955732 0.565672
H -2.621809 -2.685150 0.025775
H -7.012077 -0.266226 -0.084897
H -4.704938 -3.909325 -0.625746
H -6.911355 -2.705660 -0.685079


