%chk=000060101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060101

0 1
 O   0.7199000      -1.568200     -0.6721000    
 O    3.050800     -6.9499999E-02 -0.9392000    
 O   0.9137000      0.7704000       1.531600    
 N   -2.712500      -1.074100     -0.5940000    
 N   -5.180400     -0.9314000      0.9050000    
 C   -3.931300      -1.741800      -1.066900    
 C   -3.053900      0.1121000      0.2005000    
 C   -4.838800      -2.117000      0.1098000    
 C   -3.962100     -0.2619000       1.376900    
 C   -1.848000     -0.7157000      -1.716600    
 C   -1.081400      -1.940100      -2.206500    
 C   -6.043500      -1.290900       2.028500    
 C  -0.2229000      -2.540800      -1.101500    
 C    1.912600      -2.036000     -0.1844000    
 C    3.078600      -1.282700     -0.3206000    
 C    1.954000      -3.276500      0.4520000    
 C    4.286100      -1.770100      0.1798000    
 C    3.161300      -3.763700      0.9525000    
 C    4.327300      -3.010600      0.8163000    
 C    2.252500      0.9038000     -0.4087000    
 C    1.692500       1.852200      -1.178000    
 C   0.8433000       2.946000     -0.6790000    
 C    2.053400      0.8774000       1.076000    
 C  -0.4804000       3.051800      -1.106400    
 C    1.362000       3.876900      0.2212000    
 C    3.241900      0.9795000       1.997800    
 C   -1.285200       4.088400     -0.6339000    
 C   0.5570000       4.913400      0.6938000    
 C  -0.7666000       5.019100      0.2662000    
 H   -4.485500      -1.099900      -1.765300    
 H   -3.687900      -2.667100      -1.599900    
 H   -3.545700      0.8718000     -0.4223000    
 H   -2.140400      0.5635000      0.6067000    
 H   -4.343200      -2.876000      0.7305000    
 H   -5.753800      -2.569900     -0.2911000    
 H   -4.228000      0.6574000       1.912700    
 H   -3.410500     -0.9016000       2.079300    
 H   -1.113200      3.4000002E-02  -1.402600    
 H   -2.414300     -0.2632000      -2.540500    
 H  -0.4296000      -1.619100      -3.029000    
 H   -1.752900      -2.701800      -2.615300    
 H   -6.332400     -0.3971000       2.592400    
 H   -6.971500      -1.749100       1.668800    
 H   -5.557700      -1.991300       2.717500    
 H   0.2779000      -3.416600      -1.535000    
 H  -0.8321000      -2.870100     -0.2525000    
 H    1.066700      -3.883200      0.6053000    
 H    5.198000      -1.188000      7.7699997E-02
 H    3.192900      -4.726500       1.454200    
 H    5.267100      -3.389000       1.207600    
 H    1.840000       1.828900      -2.254800    
 H  -0.8974000       2.342100      -1.815400    
 H    2.393800       3.819200      0.5590000    
 H    3.092200       1.821300       2.679300    
 H    3.345300      5.2299999E-02   2.566500    
 H    4.159400       1.159700       1.431200    
 H   -2.315200       4.171700     -0.9681000    
 H   0.9613000       5.639600       1.392800    
 H   -1.393000       5.826800      0.6334000    


%chk=000060101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060101

0 1
O 0.825065 -1.262961 -0.965512
O 3.175591 0.140093 -0.184012
O 0.172954 1.405703 1.453026
N -2.759440 -0.884399 0.046059
N -4.932412 -1.569763 1.846515
C -4.038998 -1.434636 -0.464801
C -3.002936 -0.109777 1.292291
C -4.700141 -2.329893 0.597019
C -3.659478 -1.003313 2.355210
C -2.006931 -0.099874 -0.964259
C -1.336809 -0.991087 -2.033827
C -5.641602 -2.365763 2.864728
C -0.363813 -2.011286 -1.443821
C 1.888046 -2.000748 -0.436652
C 3.044033 -1.264575 -0.035719
C 1.895713 -3.410858 -0.292144
C 4.178469 -1.935623 0.459416
C 3.035773 -4.077090 0.212421
C 4.183766 -3.343322 0.581450
C 2.064033 1.034852 -0.011356
C 1.984125 1.987384 -1.005948
C 1.188673 3.197091 -1.239156
C 1.341280 0.930659 1.289322
C 1.632527 4.035780 -2.312586
C 0.021690 3.598578 -0.518361
C 2.056263 0.250157 2.449212
C 0.962149 5.229440 -2.638486
C -0.642718 4.797693 -0.846982
C -0.181854 5.620051 -1.901982
H -4.750666 -0.615034 -0.740917
H -3.846817 -2.036740 -1.372209
H -3.674374 0.764958 1.099834
H -2.037684 0.275871 1.665787
H -4.041381 -3.220484 0.774453
H -5.673597 -2.695855 0.218223
H -3.875848 -0.402418 3.258723
H -2.938047 -1.812003 2.642172
H -1.223825 0.467397 -0.431689
H -2.661494 0.649707 -1.477401
H -0.798919 -0.347360 -2.755285
H -2.101978 -1.547570 -2.610263
H -5.847537 -1.738094 3.750608
H -6.609285 -2.713575 2.459490
H -5.066051 -3.265046 3.205262
H -0.036909 -2.745019 -2.208293
H -0.837714 -2.530151 -0.587252
H 1.015385 -3.992112 -0.579659
H 5.048417 -1.333314 0.739796
H 3.021380 -5.167712 0.311009
H 5.072547 -3.854029 0.965129
H 2.745740 1.812050 -1.781211
H 2.522558 3.741920 -2.883441
H -0.352255 2.957955 0.283555
H 1.603321 0.600178 3.390200
H 1.929148 -0.847375 2.391065
H 3.140585 0.451821 2.439338
H 1.327259 5.853668 -3.461511
H -1.534953 5.087687 -0.280551
H -0.709821 6.546966 -2.152833


