%chk=000038326.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038326

0 1
 O   -2.849400     -0.6086000      -1.888200    
 N    1.480800     -8.8000000E-03 -0.4194000    
 N    4.299000      8.4600002E-02  3.6600001E-02
 N   -2.129700     -0.6552000      0.3142000    
 N   -8.276500      0.8562000       1.066900    
 C    2.074700     -0.7297000      0.7129000    
 C    2.233600       1.225300     -0.6761000    
 C    3.531200      -1.102400      0.4251000    
 C    3.694800      0.9172000      -1.011200    
 C   7.4800000E-02  0.2941000     -0.1544000    
 C  -0.7392000     -0.9793000      2.3000000E-02
 C    5.694000      7.5499997E-02  0.1464000    
 C    6.425000      -1.121100      5.5000000E-03
 C    6.410000       1.262400      0.4000000    
 C   -3.068000     -0.4980000     -0.6846000    
 C   -4.435300     -0.1424000     -0.2251000    
 C    7.815600      -1.130400      0.1140000    
 C    7.800700       1.253200      0.5084000    
 C    8.503400      5.6800000E-02  0.3655000    
 C   -4.774000       1.190900     -9.5100001E-02
 C   -5.331900      -1.154700      5.9799999E-02
 C   -6.057900       1.524600      0.3364000    
 C   -6.615700     -0.8209000      0.4909000    
 C   -6.978800      0.5187000      0.6293000    
 C   -3.809600       2.290200     -0.4022000    
 C   -4.971600      -2.598200     -7.8599997E-02
 H    1.569200      -1.678600      0.9104000    
 H    2.022000     -0.1276000       1.630000    
 H    2.190000       1.894800      0.1937000    
 H    1.794800       1.763500      -1.525000    
 H    3.952600      -1.555600       1.331300    
 H    3.569900      -1.850000     -0.3777000    
 H    3.759200      0.3903000      -1.972100    
 H    4.225600       1.869000      -1.128500    
 H  -3.3100002E-02  0.9338000      0.7324000    
 H  -0.3434000      0.8590000     -0.9979000    
 H  -0.6952000      -1.604200     -0.8760000    
 H  -0.4216000      -1.578200      0.8791000    
 H   -2.400900     -0.5289000       1.285300    
 H    5.925000      -2.063400     -0.2038000    
 H    5.882700       2.205100      0.5279000    
 H    8.363500      -2.061100     -9.9999997E-05
 H    8.336200       2.176900      0.7070000    
 H    9.586100      4.9600001E-02  0.4500000    
 H   -6.345700       2.567800      0.4464000    
 H   -7.337200      -1.601600      0.7215000    
 H   -3.460500       2.219200      -1.437600    
 H   -4.267000       3.278600     -0.2840000    
 H   -2.949800       2.246700      0.2743000    
 H   -4.650700      -2.819400      -1.101900    
 H   -4.169700      -2.862000      0.6186000    
 H   -5.822000      -3.253300      0.1401000    
 H   -8.541000       1.827400       1.165300    
 H   -8.945500      0.1274000       1.277200    


%chk=000038326-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038326

0 1
O -2.605504 0.530111 -1.719412
N 1.522932 0.013246 -0.111207
N 4.417056 0.044107 0.088442
N -2.200429 -0.745284 0.172661
N -8.545315 0.505615 0.975190
C 2.226475 -0.777203 0.924176
C 2.288276 1.250512 -0.393493
C 3.647643 -1.156248 0.468410
C 3.699693 0.897309 -0.889780
C 0.098143 0.258568 0.204268
C -0.783924 -0.962231 -0.162489
C 5.834289 -0.014121 0.068640
C 6.540030 -1.222967 0.357495
C 6.613843 1.153679 -0.202675
C -3.047246 -0.018297 -0.656718
C -4.479664 0.088233 -0.196604
C 7.950758 -1.251126 0.389112
C 8.021010 1.109756 -0.177896
C 8.709188 -0.090388 0.121405
C -5.070258 1.388985 -0.090188
C -5.274993 -1.071223 0.061702
C -6.414432 1.512189 0.310586
C -6.625774 -0.918514 0.444027
C -7.213094 0.366851 0.586080
C -4.271406 2.645734 -0.393472
C -4.736508 -2.489352 -0.096219
H 1.664835 -1.708090 1.123453
H 2.297126 -0.207011 1.886638
H 2.373067 1.900785 0.514443
H 1.762919 1.821069 -1.180702
H 4.153276 -1.657387 1.312030
H 3.579396 -1.879154 -0.377763
H 3.609719 0.366689 -1.865019
H 4.261536 1.827829 -1.061771
H -0.056927 0.523289 1.280906
H -0.258329 1.110696 -0.401134
H -0.698720 -1.128273 -1.249890
H -0.435777 -1.872651 0.358494
H -2.571878 -1.100031 1.054447
H 5.995067 -2.154356 0.535013
H 6.122751 2.110411 -0.406259
H 8.458147 -2.197435 0.611747
H 8.584966 2.027297 -0.383836
H 9.803516 -0.118009 0.141798
H -6.855660 2.512537 0.404756
H -7.236445 -1.813349 0.621344
H -3.977194 2.671303 -1.456770
H -4.855671 3.551788 -0.158393
H -3.331163 2.680902 0.188163
H -3.993656 -2.563773 -0.907732
H -4.247701 -2.853553 0.829281
H -5.560594 -3.188801 -0.320246
H -8.971471 1.424210 1.052291
H -9.122425 -0.309670 1.158571


