%chk=000150504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150504

0 1
 O    2.717400     -0.1534000     -0.5966000    
 O    1.833100      0.3508000       1.502900    
 O    6.162500      -1.644600       1.068700    
 O    6.105600     -0.9497000      -1.736500    
 O    4.428400      0.1666000       2.615700    
 O    2.364300      0.2746000      -3.288900    
 O   -5.533400      -3.290800     -0.1579000    
 O   -3.462600      -3.531400      0.5299000    
 N   -4.404900      -2.821000      0.1122000    
 C    5.320400     -0.6298000      0.5196000    
 C    4.951300      -1.041700     -0.9056000    
 C    4.074000     -0.4760000       1.391500    
 C    3.851600     -0.1361000      -1.465100    
 C    3.010000      0.3728000      0.6956000    
 C    3.384300     -0.5995000      -2.841300    
 C   -1.554000       1.193200      0.2990000    
 C   0.7556000       1.052900       1.043800    
 C  -0.4673000      0.4219000      0.7732000    
 C   -2.796100      0.5707000      2.0600000E-02
 C   -1.401600       2.585500      0.1027000    
 C   -2.948500     -0.8218000      0.2168000    
 C   -3.882900       1.341700     -0.4536000    
 C   0.9037000       2.425200      0.8499000    
 C  -0.6370000     -0.9563000      0.9616000    
 C  -0.1661000       3.187000      0.3829000    
 C   -1.860800      -1.569800      0.6868000    
 C   -2.489300       3.333400     -0.3678000    
 C   -3.713200       2.719900     -0.6423000    
 C   -4.184300      -1.423000     -6.3299999E-02
 C   -5.105900      0.7106000     -0.7242000    
 C   -5.254300     -0.6617000     -0.5302000    
 H    5.909200      0.2957000      0.5215000    
 H    4.627000      -2.089600     -0.9096000    
 H    3.671100      -1.461100       1.655400    
 H    4.203400      0.9005000      -1.558100    
 H    3.371200       1.405300      0.6036000    
 H    2.964700      -1.610200      -2.802600    
 H    4.197700     -0.5829000      -3.572200    
 H    6.936700      -1.727300      0.4859000    
 H    6.396300     -2.1700000E-02  -1.745000    
 H    4.790400       1.043600       2.402500    
 H    1.838600       2.929500       1.078000    
 H   0.1815000      -1.575200       1.324400    
 H  -2.7200000E-02   4.257100      0.2442000    
 H   -1.786700      -2.622400      0.8937000    
 H   -2.395500       4.405900     -0.5265000    
 H   -4.535000       3.333400      -1.006200    
 H   -5.955300       1.284200      -1.089600    
 H    1.650600      0.2570000      -2.628400    
 H   -6.225700      -1.094000     -0.7574000    


%chk=000150504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150504

0 1
O 3.173586 -0.937857 -0.913480
O 1.678754 -0.163281 0.636702
O 6.429272 0.241952 1.448688
O 6.951038 -0.765562 -1.267709
O 3.853935 1.437684 1.860156
O 3.380278 -1.904524 -3.594689
O -6.375781 -2.772817 -0.821312
O -4.214677 -3.458920 -0.742735
N -5.112836 -2.528318 -0.648572
C 5.436878 0.282477 0.373878
C 5.623620 -0.867817 -0.628507
C 4.064818 0.228407 1.065276
C 4.464498 -0.852768 -1.647673
C 2.938465 0.173856 0.017545
C 4.444277 -2.048255 -2.604929
C -1.796922 1.167892 0.428878
C 0.628806 0.778458 0.626348
C -0.679272 0.264003 0.383601
C -3.129671 0.676981 0.185539
C -1.573608 2.566563 0.709704
C -3.352728 -0.729817 -0.107716
C -4.233034 1.608570 0.236446
C 0.848517 2.142317 0.918466
C -0.919221 -1.122258 0.090018
C -0.248410 3.023206 0.949274
C -2.197062 -1.602981 -0.146656
C -2.701109 3.464267 0.752862
C -3.984827 3.000373 0.525529
C -4.713650 -1.136877 -0.337924
C -5.553509 1.136035 -0.001868
C -5.787562 -0.211687 -0.283052
H 5.516533 1.248995 -0.180244
H 5.657803 -1.835163 -0.097900
H 4.012371 -0.684338 1.692559
H 4.483881 0.093643 -2.238941
H 2.864933 1.137373 -0.534043
H 4.330564 -2.980670 -2.012929
H 5.386313 -2.096295 -3.173819
H 7.320450 0.088244 1.039745
H 6.957295 0.012724 -1.885059
H 4.606492 1.508667 2.502024
H 1.857462 2.481850 1.171915
H -0.060543 -1.798566 0.057607
H -0.084204 4.081099 1.183656
H -2.352865 -2.656939 -0.368964
H -2.521446 4.523317 0.970883
H -4.839925 3.684376 0.560063
H -6.391256 1.840368 0.035757
H 2.522435 -1.822427 -3.102795
H -6.796157 -0.587561 -0.467905


