%chk=000162884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162884

0 1
 O    2.946000      0.5918000      -2.042700    
 N   -3.458100      -1.038600      0.1709000    
 N    1.648100     -0.9559000     -0.9001000    
 N    6.154900      -1.165600       1.315500    
 C  -0.7112000     -0.3087000     -0.7556000    
 C   -1.015400      -1.448200      0.2595000    
 C   -1.997000     -0.1671000      -1.619800    
 C   -2.303600      -1.212100       1.060000    
 C   -3.250200      6.8599999E-02 -0.7692000    
 C   0.4507000     -0.7759000      -1.660800    
 C  -0.2771000       1.029600     -0.1206000    
 C   -4.680000     -0.8328000      0.9475000    
 C   -5.895200     -0.7875000      2.2600001E-02
 C  -0.5579000       2.225700     -0.7731000    
 C   0.3912000       1.029700       1.099400    
 C   -7.187400     -0.5943000      0.8171000    
 C  -0.1659000       3.435100     -0.1993000    
 C   0.7831000       2.239200       1.673100    
 C    2.821300     -0.2468000      -1.154000    
 C   0.5045000       3.441900       1.023700    
 C   -8.398100     -0.5125000     -9.9100001E-02
 C    3.986800     -0.5682000     -0.2907000    
 C    5.255300     -0.3739000     -0.7841000    
 C    3.763800      -1.050600      0.9773000    
 C    6.308100     -0.6883000      5.9999999E-02
 C    4.883400      -1.334600       1.742700    
 H   -1.136800      -2.393400     -0.2907000    
 H  -0.1961000      -1.635700      0.9600000    
 H   -1.914900      0.5971000      -2.398300    
 H   -2.146300      -1.102900      -2.180400    
 H   -2.183200     -0.3445000       1.720700    
 H   -2.465500      -2.085900       1.703200    
 H   -3.192500       1.031400     -0.2475000    
 H   -4.063200      0.1381000      -1.496500    
 H   0.6232000     -6.0199998E-02  -2.473500    
 H   0.2215000      -1.740600      -2.129000    
 H   -4.622000      8.8900000E-02   1.541100    
 H   -4.812200      -1.664500       1.651100    
 H    1.655900      -1.716100     -0.2289000    
 H   -5.844900      5.0400000E-02 -0.6786000    
 H   -5.957500      -1.710800     -0.5667000    
 H   -1.049000       2.276900      -1.736700    
 H   0.6357000      0.1225000       1.638400    
 H   -7.126400      0.3240000       1.412800    
 H   -7.321400      -1.427200       1.517200    
 H  -0.3764000       4.371600     -0.7076000    
 H    1.307500       2.244900       2.624200    
 H   0.8117000       4.383400       1.469300    
 H   -9.310900     -0.3809000      0.4905000    
 H   -8.314000      0.3345000     -0.7875000    
 H   -8.504900      -1.427400     -0.6906000    
 H    5.449500      7.9999998E-04  -1.782300    
 H    2.783100      -1.193800       1.412600    
 H    7.336100     -0.5614000     -0.2633000    
 H    4.783200      -1.712200       2.755000    


%chk=000162884-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162884

0 1
O 2.923258 0.207226 -2.437157
N -3.582184 -0.876551 0.171479
N 1.681304 -1.005758 -0.879122
N 6.469071 -1.024511 1.039330
C -0.734658 -0.257507 -0.606266
C -1.148169 -1.377147 0.398141
C -1.979959 0.008743 -1.512975
C -2.474805 -1.095070 1.135375
C -3.266911 0.275668 -0.711083
C 0.393305 -0.799973 -1.550669
C -0.232047 1.041557 0.069443
C -4.886778 -0.739024 0.869959
C -6.107374 -0.806314 -0.070713
C 0.064655 2.176706 -0.733675
C 0.013419 1.146815 1.463391
C -7.442006 -0.847926 0.709379
C 0.570811 3.366848 -0.171249
C 0.520924 2.337069 2.034631
C 2.856241 -0.441074 -1.345622
C 0.799777 3.456403 1.221172
C -8.674694 -0.874196 -0.219672
C 4.079430 -0.661284 -0.485738
C 5.352326 -0.632915 -1.105751
C 4.028172 -0.851613 0.918564
C 6.505084 -0.824450 -0.314394
C 5.237232 -1.025917 1.629798
H -1.285040 -2.312316 -0.179520
H -0.353585 -1.571402 1.146757
H -1.788037 0.861614 -2.189895
H -2.149897 -0.884131 -2.146959
H -2.359865 -0.216258 1.819322
H -2.731097 -1.968177 1.765268
H -3.157106 1.221765 -0.119355
H -4.102238 0.423480 -1.417203
H 0.588535 -0.091166 -2.373824
H 0.042540 -1.750271 -2.003051
H -4.933439 0.210311 1.467902
H -4.958846 -1.574504 1.594874
H 1.708260 -1.589302 -0.042345
H -6.123306 0.067437 -0.752066
H -6.013293 -1.708302 -0.706831
H -0.080189 2.132379 -1.819395
H -0.191869 0.300613 2.126540
H -7.503530 0.033386 1.380626
H -7.453783 -1.741513 1.366507
H 0.796689 4.219670 -0.821067
H 0.696826 2.387126 3.115493
H 1.194635 4.378943 1.660793
H -9.616414 -0.912578 0.358034
H -8.707295 0.027630 -0.859812
H -8.649823 -1.756896 -0.886051
H 5.420059 -0.453967 -2.182797
H 3.081059 -0.819607 1.469248
H 7.502972 -0.817840 -0.766437
H 5.231056 -1.164929 2.716869


