%chk=000041523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041523

0 1
 O    2.891600      -2.032800     -7.1699999E-02
 O    1.043000       2.379900     -0.4457000    
 O    4.317800     -5.1300000E-02 -0.3789000    
 O    3.476400       1.842100      0.6240000    
 N   -4.689500      0.8066000     -0.2159000    
 N   -4.367700     -0.8011000       1.550200    
 N   -3.306900      0.7585000      -2.142100    
 N   -6.044300      0.8336000       1.699700    
 C  -0.5009000     -0.9085000     -0.8273000    
 C   -1.836600      -1.494600      -1.137200    
 C  -0.3412000      0.4762000     -0.7776000    
 C   0.5892000      -1.745200     -0.5886000    
 C    1.999000      0.1876000     -0.2507000    
 C   -2.982200     -0.8449000     -0.3873000    
 C    1.839300      -1.197300     -0.3003000    
 C   0.9087000       1.024400     -0.4893000    
 C   -3.669400      0.2252000     -0.8806000    
 C   -3.357400      -1.333100      0.8312000    
 C    3.305900      0.7604000      5.1100001E-02
 C   -4.981300      0.2509000      0.9756000    
 C    5.653800      0.4034000     -0.1382000    
 C    3.112400      -2.441900       1.276400    
 C   0.8265000       3.011800      0.8140000    
 C    6.114100     -0.1099000       1.209500    
 H   -1.999300      -1.486700      -2.220600    
 H   -1.841300      -2.563700     -0.8797000    
 H   -1.153200       1.167300     -0.9604000    
 H   0.4735000      -2.825700     -0.6283000    
 H   -2.862600      -2.179000       1.296100    
 H   -2.984900      0.1330000      -2.868300    
 H   -3.834600       1.569000      -2.445300    
 H    6.285700     -1.1100000E-02 -0.9303000    
 H    5.727800       1.494700     -0.2011000    
 H    2.282800      -3.066100       1.622900    
 H    3.229400      -1.577000       1.936800    
 H    4.031200      -3.033700       1.308500    
 H    1.136500       2.382900       1.655300    
 H    1.398900       3.943100      0.8367000    
 H  -0.2362000       3.252300      0.9165000    
 H    7.146900      0.1910000       1.407000    
 H    5.478200      0.2729000       2.014300    
 H    6.054000      -1.202400       1.247900    
 H   -6.536300       1.625400       1.309300    
 H   -6.301400      0.4513000       2.599200    


%chk=000041523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041523

0 1
O 2.443500 -2.843640 -0.126501
O 1.469021 1.635723 1.608500
O 3.723579 0.914392 -0.124488
O 4.276236 -0.405260 1.714882
N -4.100163 0.546167 -1.599591
N -5.209964 0.661637 0.583994
N -2.179854 -0.731761 -1.945157
N -6.036353 1.822164 -1.278511
C -0.738170 -1.290959 0.814619
C -2.207570 -1.722029 0.872718
C -0.363596 0.018238 1.211949
C 0.249844 -2.192101 0.384065
C 2.018389 -0.514125 0.751381
C -3.197010 -0.724358 0.298469
C 1.622482 -1.817279 0.351039
C 0.993864 0.388722 1.183797
C -3.159241 -0.297975 -1.076128
C -4.254276 -0.191290 1.060317
C 3.439403 -0.032980 0.857232
C -5.082949 0.979910 -0.749225
C 5.056388 1.589974 -0.033670
C 3.871031 -2.633027 -0.403782
C 0.488614 2.615303 2.085449
C 6.126631 0.792520 -0.784921
H -2.307737 -2.700084 0.359241
H -2.480621 -1.903828 1.931809
H -1.138028 0.719562 1.534050
H -0.003481 -3.210536 0.072154
H -4.353694 -0.465633 2.119144
H -1.349297 -1.213782 -1.605695
H -2.205378 -0.374927 -2.898673
H 4.875771 2.574666 -0.493549
H 5.317152 1.707182 1.032619
H 4.447235 -2.533587 0.531421
H 4.025631 -1.741931 -1.040959
H 4.180962 -3.536354 -0.950301
H -0.055810 2.237138 2.971895
H 1.081200 3.499529 2.361243
H -0.232617 2.879662 1.288983
H 7.076830 1.358363 -0.789518
H 6.309823 -0.178545 -0.294576
H 5.826521 0.619266 -1.833202
H -5.985655 2.078373 -2.259954
H -6.783244 2.154999 -0.675771


