%chk=000150444.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150444

0 1
 O   -1.763700      -3.031400     -0.3703000    
 O   -2.865700       1.596900      0.5086000    
 O   -3.715600      -1.032700      0.4596000    
 O    3.364500      -2.405100       2.579400    
 O    5.328400       2.218000      -1.273500    
 O   -3.287400       3.814300      0.8975000    
 N    2.563000      0.2111000      0.1094000    
 C    1.651600      0.2411000      -1.032600    
 C   0.2434000     -8.6300001E-02 -0.6403000    
 C  -0.2044000      -1.422000     -0.6595000    
 C  -0.6512000      0.9218000     -0.2484000    
 C    2.528400      -1.099700      0.7579000    
 C    3.925100      0.5354000     -0.3138000    
 C   -1.518300      -1.693200     -0.2892000    
 C   -1.956800      0.5883000      0.1120000    
 C   -2.437400     -0.7241000      0.1054000    
 C   0.3722000      -2.679000     -0.9826000    
 C  -0.2491000       2.319100     -0.2068000    
 C    3.442400      -1.122000       1.972600    
 C    3.987300       1.939900     -0.8925000    
 C  -0.6134000      -3.619200     -0.7907000    
 C   -1.116300       3.261900      0.1692000    
 C   -2.501500       2.938200      0.5542000    
 C   -4.525600      -1.671400     -0.5257000    
 H    1.983100     -0.4856000      -1.789200    
 H    1.645300       1.184900      -1.579400    
 H    2.831500      -1.905300      7.9200000E-02
 H    1.539100      -1.337100       1.157200    
 H    4.314900     -0.1903000      -1.040100    
 H    4.632800      0.5470000      0.5199000    
 H    1.371500      -2.887400      -1.335500    
 H   0.7583000       2.628800     -0.4506000    
 H    3.160800     -0.3666000       2.714000    
 H    4.498000     -0.9959000       1.727700    
 H    3.673700       2.687300     -0.1558000    
 H    3.395700       2.063600      -1.801000    
 H  -0.6545000      -4.691900     -0.9096000    
 H  -0.8176000       4.303700      0.2113000    
 H    2.447400      -2.536600       2.874600    
 H    5.345500       3.126500      -1.619900    
 H   -4.340000      -1.261100      -1.524100    
 H   -5.573900      -1.493900     -0.2693000    
 H   -4.349600      -2.750700     -0.5191000    


%chk=000150444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150444

0 1
O -2.224854 -3.001080 -1.172186
O -2.602192 1.549283 0.603178
O -3.900423 -0.704742 0.100155
O 3.117786 -1.267956 3.413308
O 5.452010 2.243025 -1.436737
O -2.796236 3.698359 1.420240
N 2.676112 0.125538 -0.094753
C 1.772186 -0.209091 -1.232904
C 0.308872 -0.371207 -0.849950
C -0.382866 -1.572078 -1.121224
C -0.449122 0.686131 -0.257074
C 2.690697 -0.890987 0.986624
C 4.030215 0.516258 -0.567755
C -1.774807 -1.706773 -0.812824
C -1.844000 0.522190 0.034979
C -2.558024 -0.686357 -0.236197
C 0.019294 -2.852822 -1.696383
C 0.135932 1.973049 0.079563
C 3.000829 -0.251608 2.356824
C 4.107383 2.016525 -0.887183
C -1.089722 -3.663455 -1.707412
C -0.606542 2.989909 0.633526
C -2.029907 2.849517 0.927841
C -4.711086 -1.897058 -0.218864
H 2.112579 -1.134742 -1.755803
H 1.869744 0.610065 -1.972866
H 3.426161 -1.708390 0.797701
H 1.689086 -1.359557 1.032543
H 4.337965 -0.056797 -1.472698
H 4.773075 0.293176 0.217118
H 1.008374 -3.130723 -2.053534
H 1.209341 2.096952 -0.088019
H 2.227083 0.506438 2.596340
H 3.985748 0.244658 2.349776
H 3.940818 2.601119 0.041823
H 3.326815 2.299017 -1.627382
H -1.270936 -4.683584 -2.034708
H -0.165627 3.957066 0.888409
H 2.232194 -1.686533 3.559776
H 5.591097 3.210110 -1.592784
H -4.713040 -2.093933 -1.304753
H -5.721547 -1.634409 0.125336
H -4.338564 -2.785204 0.319130


