%chk=000177336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177336

0 1
 O   -1.979500       2.056600     -0.5349000    
 O  -0.9358000      -2.070500      -1.076500    
 N    4.734700      0.3933000      0.1932000    
 N  -0.2321000      0.1088000      -1.343200    
 N   -3.959700       1.045500      0.3274000    
 C    2.131100     -0.3944000     -0.9003000    
 C    3.455600     -0.8125000      -1.547600    
 C    2.330600      0.8978000     -0.1011000    
 C    4.581500     -0.8852000     -0.5141000    
 C    3.494100      0.7690000      0.8843000    
 C    1.036100     -0.2266000      -1.950000    
 C    5.847400      0.3242000       1.140300    
 C    7.142300     -3.2800000E-02  0.4125000    
 C   -2.397500     -0.3609000     -0.3725000    
 C   -1.168800     -0.8530000     -0.9309000    
 C   -2.697100      0.9749000     -0.2133000    
 C   -4.631100       2.301400      0.6136000    
 C    8.323600     -8.9199997E-02   1.381900    
 C   -3.497000      -1.121300      0.1153000    
 C   -4.466200     -0.2141000      0.5548000    
 C   -3.949700       3.449100     -0.1181000    
 C   -2.438800       3.298600      1.1400000E-02
 C   -3.756300      -2.502600      0.2226000    
 C   -5.686400     -0.6358000       1.104000    
 C    9.610000     -0.4785000      0.6711000    
 C   -4.970900      -2.931700      0.7678000    
 C   -5.919900      -2.010400       1.202000    
 H    1.827800      -1.184000     -0.1986000    
 H    3.341500      -1.790400      -2.030800    
 H    3.729000     -9.8399997E-02  -2.335900    
 H    2.523700       1.736300     -0.7833000    
 H    1.423500       1.148100      0.4615000    
 H    4.391100      -1.707300      0.1879000    
 H    5.466300      -1.142600      -1.101200    
 H    3.625900       1.736600       1.383700    
 H    3.239400      3.4299999E-02   1.659700    
 H    1.281900      0.5800000      -2.649600    
 H   0.9197000      -1.148400      -2.530700    
 H    5.648900     -0.4117000       1.930500    
 H    5.975200       1.299300       1.626700    
 H    7.094900      -1.023900     -4.7600001E-02
 H    7.347300      0.6969000     -0.3807000    
 H  -0.4319000       1.096500      -1.226000    
 H   -4.581800       2.443100       1.699000    
 H   -5.678300       2.216800      0.3071000    
 H    8.458400      0.8879000       1.860400    
 H    8.120200     -0.8151000       2.177900    
 H   -4.285500       4.412000      0.2796000    
 H   -4.223900       3.409100      -1.179900    
 H   -2.121100       3.362600       1.059400    
 H   -1.936200       4.103400     -0.5349000    
 H   -3.032200      -3.241400     -0.1073000    
 H   -6.431200      7.5900003E-02   1.444700    
 H    10.44190     -0.5057000       1.381800    
 H    9.522500      -1.469200      0.2137000    
 H    9.857800      0.2425000     -0.1144000    
 H   -5.174100      -3.995900      0.8533000    
 H   -6.857500      -2.363800       1.623500    


%chk=000177336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177336

0 1
O -2.144378 2.206019 -0.566119
O -0.950901 -2.042682 -1.038448
N 4.834386 0.144224 0.187982
N -0.275801 0.159747 -1.395561
N -4.142467 1.137376 0.331439
C 2.130445 -0.437334 -0.884094
C 3.420453 -0.990181 -1.532531
C 2.463807 0.867982 -0.124839
C 4.551362 -1.144090 -0.496079
C 3.617713 0.651742 0.873931
C 1.023819 -0.240694 -1.950979
C 5.990715 0.063285 1.116209
C 7.350636 -0.097206 0.405331
C -2.462389 -0.270699 -0.403041
C -1.193509 -0.789380 -0.957743
C -2.859867 1.061017 -0.223516
C -4.846863 2.384841 0.658596
C 8.538325 -0.019973 1.392579
C -3.575010 -1.077180 0.083943
C -4.601568 -0.182532 0.542308
C -4.179682 3.554513 -0.097343
C -2.652486 3.470746 0.040402
C -3.789989 -2.474978 0.176775
C -5.819329 -0.632265 1.089391
C 9.905464 -0.200485 0.698243
C -5.008655 -2.934897 0.719401
C -6.011201 -2.029680 1.170507
H 1.755336 -1.186193 -0.156028
H 3.220305 -1.973432 -2.002144
H 3.761367 -0.298952 -2.329880
H 2.766905 1.648836 -0.852441
H 1.571354 1.234725 0.419424
H 4.262117 -1.934930 0.248064
H 5.470564 -1.489795 -1.001055
H 3.874807 1.607665 1.369241
H 3.276535 -0.057441 1.675959
H 1.345269 0.527606 -2.681909
H 0.874967 -1.194643 -2.489415
H 5.863271 -0.767700 1.861633
H 6.012443 1.007280 1.697091
H 7.398077 -1.065558 -0.131353
H 7.441946 0.697858 -0.360493
H -0.507724 1.151665 -1.300036
H -4.814620 2.561427 1.753235
H -5.907983 2.288325 0.365810
H 8.515719 0.957854 1.916303
H 8.415917 -0.795724 2.176414
H -4.536825 4.515788 0.313410
H -4.448756 3.521716 -1.168544
H -2.339192 3.497604 1.103061
H -2.135965 4.265902 -0.517533
H -3.010959 -3.158134 -0.170857
H -6.590145 0.061592 1.442485
H 10.739466 -0.132567 1.420986
H 9.969668 -1.186205 0.199778
H 10.062261 0.575681 -0.074374
H -5.190233 -4.012704 0.797663
H -6.945521 -2.421582 1.587961


