%chk=000100412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100412

0 1
 O   -4.241200      -1.682500     -0.8267000    
 O   -3.423400      0.8050000       1.418300    
 O   -5.750600     -0.5359000      0.5012000    
 N    1.252800      2.3000001E-03 -0.3235000    
 N   0.1262000     -0.6912000     -0.6052000    
 C   0.8794000       1.176700      0.4880000    
 C   0.8912000       2.425700     -0.3886000    
 C  -0.5520000      0.8277000      0.9961000    
 C  -0.9966000     -0.2498000      3.7400000E-02
 C    2.318000       2.679300     -0.8913000    
 C  -4.6300001E-02   2.215600      -1.584400    
 C   0.4138000       3.628200      0.4352000    
 C    2.463800     -0.6115000     -6.1700001E-02
 C   -2.263100     -0.6380000     -0.1368000    
 C   -2.811900      -1.674100      -1.040500    
 C   -3.400400     -6.8800002E-02  0.5818000    
 C    3.558400      0.1252000      0.4331000    
 C    2.640300      -1.992000     -0.2821000    
 C   -4.632700     -0.7747000      9.9100001E-02
 C    4.780200     -0.4939000      0.6969000    
 C    3.862000      -2.611100     -1.7999999E-02
 C    4.932000      -1.862100      0.4716000    
 H    1.499500       1.321900       1.382000    
 H   -1.224000       1.681600       1.048800    
 H  -0.4758000      0.3904000       2.000000    
 H    2.728100       1.857700      -1.483900    
 H    2.317700       3.546900      -1.565000    
 H    2.997400       2.951900     -7.8800000E-02
 H   -1.093800       2.080100      -1.300700    
 H   0.2617000       1.396100      -2.241400    
 H  -3.4200002E-02   3.114000      -2.216300    
 H   0.9581000       3.704400       1.383300    
 H   0.5904000       4.561600     -0.1133000    
 H  -0.6565000       3.607600      0.6575000    
 H   7.0699997E-02  -1.339500      -1.380100    
 H   -2.627600      -1.441300      -2.093300    
 H   -2.427400      -2.670800     -0.8054000    
 H    3.508800       1.171600      0.6890000    
 H    1.832200      -2.610700     -0.6646000    
 H    5.610400      8.5600004E-02   1.090500    
 H    3.980600      -3.676400     -0.1932000    
 H    5.882300      -2.344600      0.6800000    


%chk=000100412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100412

0 1
O -4.111873 -1.894605 -0.946951
O -3.396577 0.636570 1.532756
O -5.743363 -0.922076 0.406419
N 1.386254 0.127751 -0.458438
N 0.194318 -0.622846 -0.742160
C 0.930167 1.308879 0.386037
C 0.818609 2.637995 -0.438424
C -0.410736 0.799543 1.002456
C -0.890452 -0.248355 0.013173
C 2.205797 2.980782 -1.043136
C -0.215736 2.519315 -1.587855
C 0.399614 3.780635 0.528351
C 2.514087 -0.667590 -0.037203
C -2.186722 -0.712295 -0.146242
C -2.639671 -1.767000 -1.136451
C -3.326030 -0.233907 0.610046
C 3.736823 -0.011524 0.274232
C 2.458569 -2.086387 0.007357
C -4.555833 -1.001212 0.072431
C 4.870784 -0.765071 0.638321
C 3.606012 -2.829145 0.361640
C 4.818407 -2.178412 0.681915
H 1.687612 1.456389 1.176489
H -1.175242 1.577284 1.145020
H -0.259864 0.332428 1.993827
H 2.576445 2.157122 -1.678928
H 2.132807 3.890707 -1.666569
H 2.954081 3.181499 -0.251835
H -1.229076 2.282125 -1.215494
H 0.085668 1.742372 -2.313880
H -0.281415 3.479244 -2.132168
H 1.087279 3.851601 1.393048
H 0.429791 4.749424 -0.002998
H -0.626194 3.650716 0.917162
H 0.154074 -1.106249 -1.640874
H -2.475956 -1.489461 -2.196656
H -2.201871 -2.766264 -0.950908
H 3.805284 1.078207 0.213871
H 1.519634 -2.605460 -0.206926
H 5.803913 -0.243117 0.878135
H 3.544642 -3.922664 0.397751
H 5.704438 -2.758748 0.958659


