%chk=000057757.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057757

0 1
 O   -3.113100      -2.603900     -0.4067000    
 O   -1.383900     -0.3980000     -0.4469000    
 O  -0.8563000       1.356400      -1.840700    
 N   -5.608300      8.0499999E-02  0.1126000    
 N    4.834400     -0.4969000      0.5268000    
 C   -7.039500      0.1880000     -0.1688000    
 C   -5.479500      0.3699000       1.540500    
 C   -7.449400       1.426600      0.6141000    
 C   -6.422000       1.548200       1.735300    
 C   -5.068800      -1.224200     -0.2407000    
 C   -3.560100      -1.308000      2.0000001E-03
 C   -2.764500     -0.2547000     -0.7659000    
 C  -0.5380000      0.4756000      -1.057000    
 C    7.242100     -0.1823000      0.6933000    
 C    5.938700      0.2717000      4.1600000E-02
 C   0.8654000      0.2213000     -0.6439000    
 C    8.448000      0.6442000      0.2391000    
 C    3.501800     -0.2562000      0.1329000    
 C    1.896900       1.008100      -1.156500    
 C    1.152100     -0.8042000      0.2571000    
 C    3.215000      0.7695000     -0.7681000    
 C    2.470300      -1.043000      0.6455000    
 C    9.718700      0.2115000      0.9542000    
 H   -7.242800      0.3019000      -1.238300    
 H   -7.593600     -0.6841000      0.2017000    
 H   -5.809200     -0.4741000       2.160000    
 H   -4.460000      0.6416000       1.831000    
 H   -7.412100       2.319300     -2.1199999E-02
 H   -8.467700       1.335200       1.005500    
 H   -6.894600       1.525700       2.722500    
 H   -5.882900       2.498300       1.642000    
 H   -5.570000      -2.034500      0.3063000    
 H   -5.260500      -1.425700      -1.303400    
 H   -3.332000      -1.239400       1.071800    
 H   -2.890500     -0.4051000      -1.844900    
 H   -3.087600      0.7568000     -0.4971000    
 H   -2.152600      -2.640800     -0.2579000    
 H    7.417100      -1.241500      0.4648000    
 H    7.144600     -0.1126000       1.784500    
 H    6.030800      0.1642000      -1.045900    
 H    5.791900       1.334600      0.2695000    
 H    8.267700       1.706500      0.4404000    
 H    8.584800      0.5365000     -0.8430000    
 H    4.997600      -1.259700       1.174800    
 H    1.693900       1.811500      -1.859800    
 H   0.3807000      -1.440800      0.6809000    
 H    3.986900       1.404200      -1.192800    
 H    2.681000      -1.845000       1.348500    
 H    9.623400      0.3410000       2.037000    
 H    10.56810      0.8119000      0.6138000    
 H    9.943400     -0.8407000      0.7519000    


%chk=000057757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057757

0 1
O -3.155365 -2.650856 -0.253473
O -1.415665 -0.425728 -0.294194
O -0.898751 1.412283 -1.634434
N -5.728950 0.026826 0.168681
N 4.957166 -0.444667 0.545239
C -7.109826 0.199057 -0.353303
C -5.825783 0.337303 1.621464
C -7.584267 1.504323 0.324770
C -6.825160 1.527844 1.694823
C -5.115998 -1.274393 -0.160553
C -3.606370 -1.303364 0.132992
C -2.851271 -0.229364 -0.649991
C -0.508904 0.489204 -0.873233
C 7.419997 -0.188821 0.631842
C 6.092993 0.352415 0.065463
C 0.889208 0.221681 -0.479676
C 8.641953 0.628418 0.155640
C 3.633433 -0.213066 0.203399
C 1.912624 1.053364 -1.009189
C 1.258335 -0.832328 0.404098
C 3.260451 0.849147 -0.680147
C 2.600245 -1.047903 0.739524
C 9.974051 0.084849 0.714637
H -7.102675 0.257247 -1.456273
H -7.772994 -0.655123 -0.057642
H -6.222389 -0.541308 2.193138
H -4.835349 0.588481 2.040822
H -7.291458 2.374198 -0.287547
H -8.681158 1.527650 0.446646
H -7.511840 1.410327 2.551318
H -6.291911 2.484692 1.825295
H -5.588044 -2.122685 0.396394
H -5.257883 -1.472971 -1.239383
H -3.418490 -1.146668 1.217055
H -2.969070 -0.361898 -1.740747
H -3.176460 0.786884 -0.373197
H -2.163252 -2.641628 -0.241014
H 7.545462 -1.247888 0.325637
H 7.380044 -0.174376 1.740720
H 6.130878 0.333078 -1.044848
H 5.968110 1.415048 0.366081
H 8.515752 1.686652 0.460999
H 8.675774 0.623553 -0.952482
H 5.160841 -1.217002 1.180011
H 1.621822 1.863719 -1.686471
H 0.478488 -1.472944 0.825489
H 4.025476 1.506362 -1.103397
H 2.869425 -1.863955 1.422122
H 9.979071 0.104581 1.820631
H 10.831729 0.686090 0.362823
H 10.141759 -0.961040 0.395836


