%chk=000028760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028760

0 1
 O    1.319900       2.813800       1.548700    
 O    4.389300      -1.695800       1.782000    
 O    4.388700      0.6356000      -2.401000    
 O    5.480900      -1.282900     -0.7297000    
 N   -2.919500      0.3637000      0.2206000    
 N  -0.2106000       1.270100      0.6950000    
 C   -1.831100     -0.5982000      0.4143000    
 C   -2.603600       1.792200      0.3057000    
 C  -0.4912000      9.8999999E-03 -3.0000001E-04
 C   -1.368500       2.019300       1.174100    
 C   -4.222200     -6.6100001E-02 -2.0400001E-02
 C    1.071100       1.758800      0.9666000    
 C    2.226400      0.9626000      0.5227000    
 C   -4.701500      -1.292000      0.4987000    
 C   -5.121000      0.7054000     -0.7943000    
 C   -6.006200      -1.722300      0.2575000    
 C   -6.425800      0.2750000      -1.035400    
 C   -6.868300     -0.9389000     -0.5095000    
 C    2.768900       1.176000     -0.7414000    
 C    2.769800      3.0000001E-04   1.369200    
 C    3.864500     -0.7548000      0.9484000    
 C    3.863500      0.4210000      -1.162400    
 C    4.411500     -0.5444000     -0.3176000    
 C   -8.262900      -1.399400     -0.7684000    
 C    3.850400      -3.013200       1.693200    
 C    3.851200     -0.1335000      -3.475000    
 C    6.776400     -0.7623000     -0.4413000    
 H   -1.993600      -1.499900     -0.1887000    
 H   -1.795900     -0.8966000       1.469200    
 H   -3.437300       2.350800      0.7483000    
 H   -2.428100       2.184300     -0.7035000    
 H   0.3069000     -0.7156000      0.1767000    
 H  -0.4952000      0.2399000      -1.072900    
 H   -1.128300       3.087200       1.216900    
 H   -1.557600       1.686600       2.202300    
 H   -4.061100      -1.921800       1.112200    
 H   -4.806000       1.651100      -1.229900    
 H   -6.341000      -2.667600      0.6762000    
 H   -7.088100      0.8935000      -1.635400    
 H    2.343700       1.928000      -1.401700    
 H    2.345100     -0.1656000       2.356400    
 H   -8.624900      -1.038700      -1.737200    
 H   -8.320000      -2.493000     -0.7925000    
 H   -8.931900      -1.030500      1.5500000E-02
 H    2.783900      -3.008600       1.939900    
 H    4.373600      -3.646900       2.414500    
 H    4.002400      -3.425100      0.6905000    
 H    4.374900      0.1469000      -4.392900    
 H    2.784700      7.8000002E-02  -3.601700    
 H    4.003900      -1.202800      -3.297500    
 H    6.919400      0.2073000     -0.9283000    
 H    7.521000      -1.461900     -0.8310000    
 H    6.920700     -0.6645000      0.6393000    


%chk=000028760-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028760

0 1
O 0.993093 1.962050 2.300696
O 5.265431 -0.869741 1.983653
O 3.608323 -0.120143 -2.628648
O 5.711873 -1.044631 -0.863146
N -3.181940 0.376645 0.124197
N -0.389683 1.020702 0.699787
C -2.142756 -0.665582 0.169045
C -2.741046 1.765887 0.348173
C -0.771300 -0.076054 -0.220676
C -1.509656 1.814060 1.267929
C -4.527470 0.060084 -0.130313
C 0.862448 1.201910 1.284230
C 2.063672 0.516082 0.683831
C -4.997242 -1.287629 -0.066223
C -5.477906 1.072024 -0.468259
C -6.347094 -1.595288 -0.330253
C -6.824987 0.742281 -0.718228
C -7.296222 -0.593577 -0.655267
C 2.256720 0.390480 -0.713123
C 3.076319 0.075823 1.570274
C 4.263009 -0.485367 1.064326
C 3.457976 -0.144799 -1.231003
C 4.486353 -0.567529 -0.342199
C -8.757555 -0.931621 -0.898915
C 5.641508 -2.302356 1.944608
C 4.032133 -1.374899 -3.289762
C 6.859323 -0.132625 -0.613422
H -2.386573 -1.459811 -0.562576
H -2.072763 -1.146217 1.170376
H -3.550648 2.328963 0.848537
H -2.519316 2.290059 -0.608242
H -0.008105 -0.870092 -0.180461
H -0.827888 0.287487 -1.266726
H -1.168981 2.855095 1.401920
H -1.770045 1.432956 2.275579
H -4.317137 -2.097980 0.214870
H -5.162655 2.115278 -0.569642
H -6.671136 -2.642236 -0.269311
H -7.524333 1.546294 -0.981473
H 1.516049 0.751262 -1.432466
H 2.951243 0.190005 2.650408
H -9.223707 -0.223061 -1.607187
H -8.874585 -1.949064 -1.313466
H -9.346097 -0.890637 0.039156
H 4.774550 -2.929073 2.227581
H 6.441540 -2.412476 2.692223
H 6.004898 -2.589431 0.941809
H 4.106739 -1.120680 -4.357936
H 3.263861 -2.158951 -3.143546
H 5.003922 -1.717896 -2.899563
H 6.686062 0.834808 -1.118728
H 7.734880 -0.637568 -1.049020
H 6.998203 0.021179 0.471275


