%chk=000077017.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077017

0 1
 O    2.687000      0.6123000     -0.9199000    
 O   -1.873600       2.020700     -0.9204000    
 O  -0.8131000      -2.633200     -0.9204000    
 O    2.649400      0.6174000       1.410800    
 O   -1.858900       1.985700       1.410300    
 O  -0.7912000      -2.602300       1.410300    
 N    6.607900       1.489200      -1.097800    
 N   -4.594100       4.977600      -1.097800    
 N   -2.013100      -6.467600      -1.097700    
 C    1.360000      0.3100000     -0.9196000    
 C  -0.9484000       1.022800     -0.9202000    
 C  -0.4116000      -1.332800     -0.9202000    
 C   0.4116000       1.332800     -0.9198000    
 C   0.9485000      -1.022800     -0.9198000    
 C   -1.360000     -0.3100000     -0.9204000    
 C    4.693600       1.069700      0.2705000    
 C   -3.273100       3.529800      0.2702000    
 C   -1.420600      -4.599300      0.2703000    
 C    3.248200      0.7404000      0.3529000    
 C   -2.265200       2.442700      0.3525000    
 C  -0.9833000      -3.182800      0.3525000    
 C    5.421300       1.250700       1.421900    
 C   -3.793600       4.069400       1.421800    
 C   -1.628300      -5.319700       1.421900    
 C    5.297200       1.191600     -0.9525000    
 C   -3.680900       3.991300     -0.9526000    
 C   -1.615800      -5.183500     -0.9525000    
 C    6.773000       1.558200       1.313100    
 C   -4.735800       5.086200       1.313200    
 C   -2.037500      -6.644100       1.313400    
 C    7.313600       1.665100      4.1800000E-02
 C   -5.099000       5.500800      4.1999999E-02
 C   -2.214200      -7.166200      4.2199999E-02
 H   0.7323000       2.371600     -0.9210000    
 H    1.687700      -1.820000     -0.9210000    
 H   -2.420000     -0.5516000     -0.9220000    
 H    4.974500       1.161400       2.407200    
 H   -3.492600       3.727200       2.406900    
 H   -1.482900      -4.887600       2.407100    
 H    4.780700       1.060600      -1.896700    
 H   -3.309300       3.609500      -1.896800    
 H   -1.470400      -4.671000      -1.896700    
 H    7.384300       1.709400       2.195400    
 H   -5.172100       5.540000       2.195600    
 H   -2.212800      -7.248700       2.195900    
 H    8.363000       1.903100     -9.7099997E-02
 H   -5.830000       6.290600     -9.6799999E-02
 H   -2.532500      -8.194100     -9.6600004E-02


%chk=000077017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077017

0 1
O 2.686838 0.827878 0.101907
O -2.061305 1.916502 0.093184
O -0.629278 -2.738737 0.116041
O 3.854747 -1.220940 0.112766
O -0.874326 3.954184 0.083732
O -2.987458 -2.731379 0.107252
N 6.141226 3.089403 0.101360
N -5.750206 3.769025 0.081770
N -0.384520 -6.858284 0.147461
C 1.351880 0.333705 0.103013
C -0.965452 1.008079 0.097941
C -0.390475 -1.335481 0.108935
C 0.394120 1.374733 0.097621
C 0.989929 -1.027009 0.108705
C -1.388043 -0.341893 0.103512
C 5.067380 0.887734 0.105920
C -3.307028 3.945148 0.083092
C -1.761558 -4.832604 0.126567
C 3.849796 0.030567 0.107451
C -1.954572 3.322043 0.086522
C -1.899287 -3.349892 0.115643
C 6.335128 0.249513 0.108246
C -3.390994 5.361873 0.077372
C -2.945383 -5.615423 0.126691
C 5.023134 2.308517 0.102630
C -4.513699 3.193796 0.085017
C -0.506583 -5.500050 0.137204
C 7.496610 1.045851 0.106968
C -4.662662 5.966971 0.073987
C -2.831610 -7.019000 0.137292
C 7.352749 2.454172 0.103428
C -5.808656 5.135704 0.076390
C -1.537845 -7.593970 0.147353
H 0.714826 2.415433 0.093257
H 1.731036 -1.824817 0.113067
H -2.449350 -0.585723 0.103241
H 6.381816 -0.844264 0.111028
H -2.468105 5.950746 0.075695
H -3.917465 -5.111952 0.118625
H 4.063571 2.832736 0.100888
H -4.485641 2.100712 0.089287
H 0.425167 -4.927806 0.137402
H 8.492614 0.593468 0.108633
H -4.771162 7.055502 0.069602
H -3.719127 -7.658560 0.137805
H 8.231486 3.109011 0.102248
H -6.816022 5.567180 0.073940
H -1.406339 -8.681902 0.155709


