%chk=000103781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103781

0 1
 O   -1.314200      -3.230800      1.5000000E-03
 O    4.576800       2.188100     -0.1341000    
 O   -4.813500      -1.321200      -1.236400    
 O   -5.654900      0.6478000     -0.7523000    
 N  -3.1199999E-02  -1.287200      0.3375000    
 N    3.254800      0.3231000     -0.5559000    
 N   -4.704300     -0.1690000     -0.7551000    
 C    1.317800     -0.7029000      0.5528000    
 C    1.292300      0.3007000       1.705200    
 C    1.881900     -0.1122000     -0.7448000    
 C   0.3365000       1.444000       1.419000    
 C   -1.140500     -0.3517000      0.3436000    
 C  -0.9753000      0.9523000      0.8647000    
 C    4.196900     -0.7215000     -0.1548000    
 C   -2.049800       1.861400      0.8523000    
 C   -2.396900     -0.6857000     -0.1940000    
 C  -0.2283000      -2.673900      0.1829000    
 C   -3.287300       1.496700      0.3350000    
 C   -3.458400      0.2249000     -0.1920000    
 C    3.649000       1.650700     -0.7447000    
 C    4.790500     -0.3678000       1.202300    
 C    5.281500     -0.8627000      -1.215100    
 C   0.9989000      -3.550500      0.2954000    
 C   -4.398300       2.495600      0.3491000    
 C    2.876100       2.451800      -1.762200    
 H    1.968000      -1.497200      0.9132000    
 H    2.270500      0.7271000       1.928400    
 H   0.9636000     -0.2183000       2.616300    
 H    1.248300      0.7011000      -1.105900    
 H    1.886000     -0.8712000      -1.537100    
 H   0.7808000       2.145100      0.7041000    
 H   0.1633000       1.996600       2.350700    
 H    3.697800      -1.692600     -9.5500000E-02
 H   -1.900100       2.861900       1.254100    
 H   -2.549700      -1.635800     -0.6882000    
 H    5.424500      0.5213000       1.194400    
 H    5.438800      -1.189800       1.531500    
 H    4.037800     -0.2504000       1.980600    
 H    4.842100      -1.083600      -2.194300    
 H    5.880700      4.8200000E-02  -1.319600    
 H    5.964400      -1.680500     -0.9612000    
 H    1.394400      -3.523100       1.314000    
 H    1.757800      -3.250000     -0.4310000    
 H   0.7225000      -4.586000      7.0600003E-02
 H   -4.061400       3.431600      0.8139000    
 H   -4.707700       2.780500     -0.6620000    
 H   -5.240100       2.165500      0.9668000    
 H    3.511900       3.256400      -2.144200    
 H    2.582300       1.827800      -2.610700    
 H    1.992700       2.892900      -1.294900    


%chk=000103781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103781

0 1
O -1.338970 -3.169717 0.531116
O 5.008403 1.880439 -0.742934
O -4.429163 -1.371310 -1.871083
O -5.700683 0.316403 -1.031527
N -0.023145 -1.223570 0.540815
N 3.283907 0.325387 -0.571559
N -4.576648 -0.313737 -1.144337
C 1.319821 -0.601647 0.741680
C 1.249096 0.434235 1.885370
C 1.856939 -0.048467 -0.620521
C 0.198178 1.527680 1.617402
C -1.137328 -0.318251 0.398723
C -1.051192 1.006029 0.924690
C 4.260545 -0.809973 -0.401008
C -2.154818 1.875506 0.771468
C -2.316237 -0.699979 -0.282609
C -0.196680 -2.628747 0.580705
C -3.364107 1.521906 0.130502
C -3.394354 0.199528 -0.403463
C 3.765621 1.615472 -0.804849
C 5.083273 -0.684442 0.901817
C 5.157132 -0.989746 -1.648727
C 1.056320 -3.500414 0.688537
C -4.482943 2.539927 0.045785
C 2.765666 2.716122 -1.171079
H 2.002715 -1.398981 1.068289
H 2.246982 0.885647 2.031339
H 0.994511 -0.109401 2.814383
H 1.251510 0.813367 -0.940098
H 1.709001 -0.843650 -1.380562
H 0.632855 2.332932 0.992876
H -0.083657 2.015920 2.569064
H 3.628187 -1.717151 -0.321519
H -2.069559 2.888936 1.183268
H -2.419651 -1.694999 -0.712260
H 5.728054 0.207088 0.857139
H 5.720095 -1.579027 1.030084
H 4.425382 -0.600629 1.786830
H 4.545798 -1.095397 -2.563623
H 5.829607 -0.126526 -1.769594
H 5.768468 -1.903893 -1.536486
H 1.537374 -3.417733 1.680855
H 1.810659 -3.267306 -0.084476
H 0.726343 -4.541150 0.555812
H -4.137867 3.511921 0.438114
H -4.839722 2.679657 -0.989330
H -5.365983 2.214159 0.621707
H 3.349426 3.632794 -1.339951
H 2.206601 2.478670 -2.094785
H 2.033540 2.913617 -0.368091


