%chk=000034207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034207

0 1
 O    4.767700      -3.345000     -0.6356000    
 N   0.4717000      -1.230400      0.1090000    
 C   0.6653000     -0.2141000     -0.9419000    
 C  -0.5523000     -0.9041000       1.110000    
 C    1.716200      -1.650300      0.7478000    
 C    1.085400       1.175000     -0.4973000    
 C   -1.958300     -0.9147000      0.5481000    
 C   -1.296500       2.156400     -0.6573000    
 C   -2.146700       1.648600      0.5120000    
 C   0.1810000       2.247500     -0.3401000    
 C   -2.690000      0.2574000      0.2741000    
 C    2.650200      -2.284300     -0.2779000    
 C    2.451700       1.400600     -0.2330000    
 C   -2.542500      -2.166400      0.2681000    
 C   0.6654000       3.486700      0.1263000    
 C   -3.980600      0.1407000     -0.2781000    
 C    3.949300      -2.752800      0.3636000    
 C    2.913200       2.637300      0.2152000    
 C   -3.824000      -2.261500     -0.2712000    
 C    2.017300       3.679600      0.4035000    
 C   -4.543600      -1.106300     -0.5455000    
 H    1.357000     -0.5553000      -1.719600    
 H  -0.2657000     -0.1475000      -1.514600    
 H  -0.5467000      -1.663900       1.905200    
 H  -0.3191000      2.7899999E-02   1.633500    
 H    2.205200     -0.8325000       1.287500    
 H    1.496800      -2.420400       1.499400    
 H   -1.460300       1.587500      -1.579400    
 H   -1.644400       3.168100     -0.9112000    
 H   -1.623000       1.703700       1.472800    
 H   -3.001900       2.328100      0.6337000    
 H    2.160400      -3.137500     -0.7654000    
 H    2.932200      -1.602400      -1.084700    
 H    3.181100      0.6087000     -0.3788000    
 H   -1.991200      -3.082600      0.4700000    
 H  -1.7500000E-02   4.321700      0.2691000    
 H   -4.559500       1.032600     -0.5086000    
 H    3.755100      -3.499100       1.140600    
 H    4.492500      -1.911000      0.8050000    
 H    3.970200       2.782800      0.4170000    
 H   -4.255700      -3.235800     -0.4794000    
 H    2.368300       4.644700      0.7562000    
 H   -5.540800      -1.172800     -0.9700000    
 H    5.587500      -3.632900     -0.1990000    


%chk=000034207-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034207

0 1
O 4.813277 -3.472113 -0.582179
N 0.497830 -1.177190 0.105525
C 0.600563 -0.169124 -0.998039
C -0.545504 -0.841937 1.118749
C 1.780188 -1.589008 0.729318
C 1.062740 1.227533 -0.562670
C -1.950862 -0.901288 0.530880
C -1.340700 2.247654 -0.603453
C -2.250300 1.676049 0.553475
C 0.158114 2.307662 -0.313293
C -2.746231 0.257702 0.297385
C 2.733375 -2.295016 -0.258188
C 2.454052 1.442941 -0.357944
C -2.472902 -2.179345 0.202078
C 0.681593 3.535503 0.176693
C -4.049488 0.089351 -0.246928
C 3.936139 -2.912265 0.461320
C 2.958477 2.668591 0.123888
C -3.764374 -2.332556 -0.341449
C 2.060556 3.721636 0.408802
C -4.561795 -1.185637 -0.564506
H 1.298215 -0.576159 -1.750701
H -0.393699 -0.125798 -1.474957
H -0.463999 -1.607512 1.914087
H -0.357233 0.142116 1.605152
H 2.313513 -0.740510 1.226253
H 1.521489 -2.307162 1.533760
H -1.542360 1.669351 -1.523157
H -1.676377 3.280161 -0.814087
H -1.701296 1.751902 1.509372
H -3.132743 2.335125 0.650496
H 2.180269 -3.086977 -0.794931
H 3.122928 -1.594966 -1.020684
H 3.155337 0.636189 -0.603444
H -1.838509 -3.058131 0.367667
H -0.010601 4.367285 0.360138
H -4.668184 0.978678 -0.421741
H 3.597676 -3.708227 1.160621
H 4.472769 -2.135073 1.049832
H 4.036693 2.804104 0.264954
H -4.147349 -3.329887 -0.585023
H 2.431361 4.682827 0.782264
H -5.571753 -1.285086 -0.978328
H 5.599506 -3.899391 -0.157909


