%chk=000040282.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040282

0 1
 O    2.474800     -0.3802000     -0.1732000    
 O   -4.527000     -0.6043000      3.1199999E-02
 O    1.664300       1.756300     -0.2676000    
 N    6.154200     -0.5705000     -0.2817000    
 N   0.2475000     -0.1021000     -0.1280000    
 C    7.082300      -1.706500     -0.3708000    
 C    6.472600      0.2868000      0.8688000    
 C    8.528800      -1.228200     -0.5065000    
 C    7.899100      0.8301000      0.7739000    
 C    8.914800     -0.2986000      0.6384000    
 C    4.772600      -1.043600     -0.2002000    
 C    3.801700      0.1256000     -0.2374000    
 C   -8.283400     -0.4093000      0.1189000    
 C   -6.887400      -1.028000      9.8899998E-02
 C   -9.365900      -1.482600      0.2287000    
 C    1.463400      0.5501000     -0.1962000    
 C   -5.801600      3.6499999E-02  3.2099999E-02
 C   -10.75580     -0.8686000      0.2831000    
 C   -1.046300      0.4670000     -0.1237000    
 C   -3.430200      0.1988000     -4.2900000E-02
 C   -2.153500     -0.3630000     -4.8099998E-02
 C   -1.182700       1.844400     -0.1946000    
 C   -3.583000       1.583400     -0.1136000    
 C   -2.459200       2.406300     -0.1895000    
 H    6.841400      -2.315400      -1.250700    
 H    6.990700      -2.355800      0.5100000    
 H    6.345400     -0.2579000       1.813500    
 H    5.836100       1.174300      0.9089000    
 H    9.203900      -2.091100     -0.5254000    
 H    8.654100     -0.7029000      -1.461900    
 H    7.981200       1.500700     -9.1200002E-02
 H    8.128700       1.427300       1.663800    
 H    8.955900     -0.8685000       1.574800    
 H    9.915200      0.1137000      0.4676000    
 H    4.546900      -1.701800      -1.049400    
 H    4.599700      -1.644900      0.7025000    
 H    3.920500      0.7906000      0.6218000    
 H    3.929100      0.6998000      -1.163100    
 H   -8.366300      0.2813000      0.9671000    
 H   -8.439300      0.1796000     -0.7932000    
 H   -6.733000      -1.645700      0.9926000    
 H   -6.785200      -1.708100     -0.7561000    
 H   -9.304700      -2.162100     -0.6293000    
 H   -9.204700      -2.083900       1.131100    
 H   -5.897700      0.6874000      0.9101000    
 H   -5.940900      0.6102000     -0.8928000    
 H   -10.86010     -0.2095000       1.150800    
 H   -10.96190     -0.2843000     -0.6194000    
 H   -11.51430      -1.653900      0.3600000    
 H   0.2853000      -1.117100     -7.3799998E-02
 H   -2.039400      -1.442600      7.3000002E-03
 H  -0.3622000       2.544500     -0.2552000    
 H   -4.542300       2.089200     -0.1126000    
 H   -2.578500       3.484800     -0.2441000    


%chk=000040282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040282

0 1
O 2.432917 -0.231907 -0.350253
O -4.529932 -0.336934 -0.027927
O 1.751917 2.024856 -0.429142
N 6.144209 -0.640039 -0.076751
N 0.223411 0.212122 -0.278870
C 7.015986 -1.814659 -0.338007
C 6.600656 0.120516 1.116080
C 8.477506 -1.376930 -0.563130
C 8.049371 0.617804 0.938097
C 8.999654 -0.565709 0.644755
C 4.705410 -0.988053 -0.018556
C 3.849710 0.202996 -0.470254
C -8.332050 -0.582544 0.181109
C -6.847520 -1.011031 0.127937
C -9.297027 -1.783257 0.309944
C 1.473724 0.802545 -0.360271
C -5.907233 0.190214 0.012103
C -10.779878 -1.357596 0.362783
C -1.045524 0.854133 -0.250685
C -3.478607 0.588904 -0.124159
C -2.185050 0.021021 -0.154870
C -1.194955 2.266915 -0.316081
C -3.647234 1.994990 -0.188866
C -2.494873 2.808065 -0.283764
H 6.634953 -2.336890 -1.235335
H 6.981748 -2.544594 0.514692
H 6.541640 -0.517645 2.038499
H 5.925261 0.981275 1.272216
H 9.106280 -2.271719 -0.735508
H 8.523319 -0.751794 -1.475823
H 8.079051 1.335243 0.095602
H 8.366507 1.157595 1.851088
H 9.050638 -1.225128 1.536211
H 10.026551 -0.201484 0.452996
H 4.515734 -1.835724 -0.702147
H 4.379298 -1.310693 1.000257
H 4.002147 1.101739 0.152215
H 4.060468 0.463604 -1.522014
H -8.492402 0.104824 1.038249
H -8.588458 -0.006936 -0.733023
H -6.586195 -1.583744 1.038522
H -6.678166 -1.683840 -0.734669
H -9.137531 -2.471735 -0.544598
H -9.042333 -2.357744 1.223660
H -6.020764 0.868291 0.884082
H -6.111245 0.767478 -0.914241
H -10.970653 -0.689962 1.224279
H -11.069773 -0.811760 -0.554900
H -11.448022 -2.232826 0.459820
H 0.234412 -0.809002 -0.233648
H -2.094338 -1.069909 -0.102984
H -0.313706 2.905742 -0.389606
H -4.639486 2.452596 -0.167193
H -2.615822 3.896024 -0.334225


