%chk=000099749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099749

0 1
 O    1.504300      0.5230000       3.046900    
 O   -4.210200     -0.7332000     -0.8803000    
 O   -1.574100      -3.418700       1.365800    
 O   -2.841600      -2.982300     -0.4870000    
 N    3.160500      6.7699999E-02   1.450800    
 N   -3.319600       1.458100     -0.7903000    
 C   0.8992000     -2.0199999E-02  0.7061000    
 C   3.2600001E-02  -1.294700       1.018000    
 C   6.4800002E-02   1.206600      0.4030000    
 C    1.891200     -0.3139000     -0.4047000    
 C   -1.244500       1.004100      2.0000000E-02
 C    1.849800      0.2301000       1.911200    
 C   -1.350100      -1.350000      0.3851000    
 C   -1.961700     -0.2507000     -6.7900002E-02
 C    3.189400     -0.2470000      9.8099999E-02
 C   -2.093600       2.012400     -0.4055000    
 C   0.5107000       2.532000      0.3760000    
 C    1.674600     -0.6211000      -1.737700    
 C   -3.319600      5.7399999E-02 -0.6324000    
 C   -1.674500       3.322500     -0.4301000    
 C  -0.3553000       3.576900     -2.6300000E-02
 C    4.304600     -0.4722000     -0.6842000    
 C   -2.016600      -2.654700      0.3459000    
 C    2.787900     -0.8533000      -2.551400    
 C    4.091600     -0.7789000      -2.029000    
 H  -0.1219000      -1.358600       2.105000    
 H   0.6010000      -2.194400      0.7433000    
 H    3.992100      0.1709000       2.020300    
 H    1.534500       2.777200      0.6463000    
 H   0.6734000     -0.6822000      -2.149300    
 H   -4.093300       2.005100      -1.149100    
 H   -2.322100       4.127300     -0.7573000    
 H   1.8999999E-02   4.597900     -3.9700001E-02
 H    5.308300     -0.4160000     -0.2787000    
 H    2.645400      -1.095200      -3.601300    
 H    4.941100     -0.9638000      -2.681100    
 H   -1.997600      -4.303500       1.374600    


%chk=000099749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099749

0 1
O 1.599821 0.540982 3.149514
O -4.242135 -0.703270 -1.006968
O -1.414291 -3.575564 1.292415
O -2.584722 -3.182298 -0.680293
N 3.184222 0.082748 1.454191
N -3.297817 1.467104 -0.883418
C 0.894525 0.017358 0.778010
C -0.028853 -1.180514 1.204231
C 0.063132 1.268188 0.458135
C 1.839405 -0.323842 -0.381414
C -1.242585 1.037891 0.007277
C 1.891543 0.263383 1.960520
C -1.304961 -1.373488 0.382481
C -1.907673 -0.246587 -0.128188
C 3.182271 -0.272476 0.080343
C -2.094646 2.072858 -0.457688
C 0.518611 2.608392 0.475721
C 1.574265 -0.647985 -1.720842
C -3.277290 0.048228 -0.730946
C -1.656305 3.407536 -0.446363
C -0.340610 3.649546 0.040006
C 4.275266 -0.545669 -0.760325
C -1.858611 -2.745796 0.239601
C 2.662980 -0.931483 -2.586921
C 3.993866 -0.879993 -2.109145
H -0.335340 -0.998407 2.257353
H 0.564313 -2.109705 1.212502
H 4.015294 0.164098 2.040417
H 1.526991 2.850088 0.827270
H 0.546024 -0.681937 -2.096222
H -4.114555 1.949475 -1.256339
H -2.283931 4.234909 -0.791501
H 0.023251 4.682734 0.070422
H 5.307442 -0.504752 -0.396301
H 2.471316 -1.190977 -3.633157
H 4.823131 -1.100219 -2.790346
H -1.793644 -4.485956 1.159068


