%chk=000115764.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115764

0 1
 O    3.629400      0.1869000       1.609500    
 N   -3.205600      -1.054000     -0.4133000    
 C   -1.040500     -0.2852000      0.1489000    
 C   -1.473600      -1.317900       1.213500    
 C   -1.924000     -0.7236000      -1.033600    
 C   -1.420400       1.140600      0.6096000    
 C   -2.888100      -1.749300      0.8310000    
 C   0.4579000     -0.3038000     -0.1434000    
 C   -1.138200       2.162700     -0.4835000    
 C    1.368900     -4.6100002E-02  0.8793000    
 C   0.9112000     -0.5790000      -1.432400    
 C   -1.488500       3.568000     -2.1199999E-02
 C    2.738000     -6.3699998E-02  0.6122000    
 C    2.280000     -0.5966000      -1.699400    
 C    3.193500     -0.3391000     -0.6772000    
 H   -1.438600     -0.9082000       2.229400    
 H  -0.8161000      -2.196900       1.193800    
 H   -2.050600      8.2999999E-03  -1.832900    
 H   -1.548600      -1.645900      -1.497200    
 H  -0.8779000       1.419900       1.521800    
 H   -2.483800       1.191700      0.8778000    
 H   -2.926300      -2.835200      0.6893000    
 H   -3.611200      -1.483400       1.607900    
 H   -3.769800      -1.640100      -1.025600    
 H   -1.724400       1.967500      -1.385000    
 H  -8.3099999E-02   2.166500     -0.7743000    
 H    1.023000      0.1577000       1.889300    
 H   0.2456000     -0.7630000      -2.268100    
 H   -2.549100       3.643400      0.2396000    
 H  -0.8974000       3.852200      0.8553000    
 H   -1.283400       4.291800     -0.8165000    
 H    2.635300     -0.8055000      -2.704300    
 H    4.258500     -0.3532000     -0.8918000    
 H    3.141800      0.3577000       2.433600    


%chk=000115764-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115764

0 1
O 3.742594 -0.224857 1.692541
N -3.189764 -1.151497 -0.383462
C -1.024503 -0.303194 0.103733
C -1.433466 -1.280351 1.263113
C -1.898417 -0.874908 -1.051940
C -1.472184 1.151967 0.480659
C -2.933852 -1.610983 1.013207
C 0.480073 -0.335353 -0.185736
C -1.223087 2.239302 -0.588408
C 1.402414 -0.281975 0.892323
C 0.994132 -0.372875 -1.507216
C -1.656124 3.637910 -0.096258
C 2.794865 -0.273481 0.650740
C 2.390056 -0.365932 -1.738999
C 3.303163 -0.316708 -0.667090
H -1.273365 -0.831694 2.259492
H -0.818948 -2.197060 1.200310
H -2.038658 -0.157815 -1.881122
H -1.400535 -1.785074 -1.466753
H -0.938963 1.441692 1.410316
H -2.553430 1.120744 0.716353
H -3.117705 -2.698078 1.153565
H -3.593411 -1.070684 1.720439
H -3.846541 -1.725287 -0.921235
H -1.783092 1.992525 -1.512162
H -0.150809 2.257255 -0.863133
H 1.030241 -0.249441 1.925732
H 0.308696 -0.402949 -2.359798
H -2.732186 3.653502 0.161103
H -1.090400 3.932045 0.808242
H -1.481313 4.409430 -0.868668
H 2.770110 -0.396512 -2.766313
H 4.385472 -0.310563 -0.824765
H 3.292837 -0.193900 2.573289


