%chk=000178880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178880

0 1
 O   -2.189100       2.531200     -0.4416000    
 O   -2.861200      -3.188600     -2.4700001E-02
 O   -3.743300       1.220300      0.6177000    
 O   -4.144000      -1.288800      5.1000002E-03
 N   0.2880000     -0.7668000      0.1416000    
 N  -0.6267000      -1.749900      8.3800003E-02
 C  -0.2482000      0.4898000      0.1708000    
 C    1.645200      -1.092800      0.1665000    
 C   -1.612200      0.3104000      0.1283000    
 C   0.5313000       1.701900      0.2339000    
 C   -1.785500      -1.085700      7.5900003E-02
 C    2.343200      -1.210600      -1.028000    
 C    3.699400      -1.535700      -1.002700    
 C    4.345000      -1.740100      0.2168000    
 C    2.278300      -1.294300       1.385700    
 C    3.634400      -1.619300       1.410900    
 C   -2.602600       1.347200      0.1375000    
 C   0.9402000       2.331100     -0.9421000    
 C   0.8758000       2.245300       1.471500    
 C    4.440000      -1.658600      -2.293800    
 C   -3.019500      -1.818000      1.7500000E-02
 C    5.796300      -2.088300      0.2693000    
 C    1.693200       3.503500     -0.8803000    
 C    1.628600       3.418000       1.533200    
 C    2.037400       4.046900      0.3574000    
 C   -3.130400       3.610100     -0.4666000    
 C   -4.052800      -3.980700     -8.3700001E-02
 C   -2.490700       4.807300      -1.136700    
 C   -3.670200      -5.444900     -0.1231000    
 H    1.835500      -1.050000      -1.976500    
 H    1.735500      -1.202900       2.323000    
 H    4.121800      -1.774800       2.369800    
 H   0.6797000       1.920600      -1.914800    
 H   0.5647000       1.767500       2.397500    
 H    4.843900      -2.669200      -2.412200    
 H    5.257300     -0.9316000      -2.340200    
 H    3.789600      -1.468200      -3.154700    
 H    5.986000      -3.031000     -0.2541000    
 H    6.146200      -2.215200       1.299700    
 H    6.400200      -1.293600     -0.1808000    
 H    2.011000       3.993700      -1.795900    
 H    1.896600       3.841300       2.496800    
 H    2.623500       4.960000      0.4055000    
 H   -3.415300       3.867100      0.5595000    
 H   -4.020500       3.302600      -1.026200    
 H   -4.618000      -3.720100     -0.9852000    
 H   -4.666100      -3.780800      0.8017000    
 H   -2.179500       4.557400      -2.156400    
 H   -1.589000       5.114400     -0.5963000    
 H   -3.184500       5.651600      -1.175200    
 H   -3.087300      -5.714700      0.7638000    
 H   -3.039900      -5.655100     -0.9935000    
 H   -4.559000      -6.080300     -0.1686000    


%chk=000178880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178880

0 1
O -3.128900 1.904868 -0.275749
O -2.763891 -2.218236 -0.836869
O -2.081538 2.821571 1.593680
O -3.761608 -0.806684 0.731218
N 0.742229 -0.312029 0.201147
N -0.284567 -1.224010 -0.037995
C 0.266737 0.972318 0.505314
C 2.093339 -0.814971 0.196113
C -1.143721 0.866248 0.471936
C 1.139264 2.161697 0.624564
C -1.428615 -0.496350 0.119745
C 2.443449 -1.802215 -0.752479
C 3.744315 -2.353362 -0.776768
C 4.714898 -1.900187 0.170732
C 3.034973 -0.376663 1.151606
C 4.335802 -0.919328 1.119554
C -2.123174 1.954795 0.682794
C 2.157963 2.392789 -0.342622
C 0.959156 3.100205 1.675488
C 4.096796 -3.417681 -1.799803
C -2.759908 -1.151426 0.057236
C 6.123263 -2.464523 0.172907
C 2.985979 3.529289 -0.251365
C 1.794935 4.235127 1.764029
C 2.811697 4.453224 0.806616
C -4.293321 2.815148 -0.053483
C -4.042039 -2.990624 -0.910847
C -5.336562 2.447596 -1.103117
C -3.824095 -4.093469 -1.941263
H 1.681633 -2.145911 -1.458485
H 2.761139 0.363059 1.908371
H 5.070576 -0.580719 1.858948
H 2.291532 1.688658 -1.170744
H 0.157699 2.944364 2.402540
H 4.430818 -4.353164 -1.311241
H 4.924541 -3.091526 -2.458972
H 3.232076 -3.661498 -2.439040
H 6.122472 -3.559941 0.333495
H 6.735794 -2.007461 0.968104
H 6.635263 -2.287315 -0.792657
H 3.762148 3.696801 -1.006042
H 1.645479 4.950327 2.580118
H 3.456878 5.335989 0.878465
H -3.940862 3.858547 -0.146656
H -4.656702 2.660041 0.978085
H -4.852837 -2.295380 -1.195391
H -4.267261 -3.387135 0.096080
H -5.642818 1.394107 -0.987684
H -4.938975 2.589274 -2.122817
H -6.229608 3.088287 -0.984837
H -2.993314 -4.753451 -1.639074
H -3.585904 -3.665887 -2.930098
H -4.740324 -4.704583 -2.035988


