%chk=000004112.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004112

0 1
 O    6.694800     -0.3640000      -2.120500    
 O    4.071300       2.275200       1.279500    
 O    4.544700     -0.1271000      -2.806600    
 O    4.219500      -4.435400       1.020900    
 O    5.712900      -3.207700       2.208500    
 N   -2.203700       3.004300      0.4138000    
 N    3.729100      0.6932000     -0.3815000    
 N   -3.901900      0.7691000      0.1760000    
 N   -3.694000     -0.5736000      -2.234700    
 N   -4.568600      -2.484600      -1.262700    
 N   -5.194100      -2.515000       1.052100    
 N   -4.915300     -0.5693000       2.362900    
 N   -5.455000      -4.422900     -0.2800000    
 C    5.092400      0.2330000     -0.4611000    
 C    5.388800     -0.9118000      0.5153000    
 C  -0.8319000       2.677600      0.4346000    
 C    4.590600      -2.202900      0.2935000    
 C   -2.985800       2.811700     -0.7914000    
 C    1.882100       2.033700      0.4747000    
 C    3.327500       1.691100      0.4958000    
 C  -0.2225000       2.154300     -0.7057000    
 C  -8.4399998E-02   2.879100       1.595000    
 C    5.376900     -0.1094000      -1.909000    
 C    1.134600       1.832300     -0.6857000    
 C    1.272500       2.557100       1.614900    
 C   -3.415400       1.376400     -0.9173000    
 C   -2.846400       3.550000       1.592700    
 C    4.910600      -3.296600       1.289500    
 C   -3.312900      0.7122000      -2.108700    
 C   -4.282600     -0.5165000      4.8300002E-02
 C   -4.183400      -1.206700      -1.161800    
 C   -4.796500      -1.231400       1.113300    
 C   -5.053800      -3.075300     -0.1546000    
 H    5.738800       1.083300     -0.2088000    
 H    5.205900     -0.5609000       1.539600    
 H    6.458600      -1.154200      0.4673000    
 H    4.800700      -2.595600     -0.7075000    
 H    3.518500      -1.991500      0.3707000    
 H    3.043100      0.1981000     -0.9419000    
 H   -3.903100       3.414400     -0.7491000    
 H   -2.468900       3.179500      -1.685900    
 H  -0.7399000       1.985100      -1.642100    
 H  -0.5121000       3.283300       2.507100    
 H    1.577800       1.458200      -1.603900    
 H    1.837600       2.717000       2.529500    
 H   -3.914100       3.730400       1.423500    
 H   -2.405600       4.512800       1.873700    
 H   -2.781500       2.855200       2.437600    
 H   -2.926300       1.174900      -3.008500    
 H    6.880800     -0.5696000      -3.061400    
 H    4.437300      -5.152800       1.653500    
 H   -5.284300      -1.108300       3.136300    
 H   -4.277500      0.1910000       2.564700    
 H   -5.825000      -4.908400      0.5254000    
 H   -5.366300      -4.886900      -1.173500    


%chk=000004112-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004112

0 1
O 7.370860 0.160786 -1.559960
O 3.938261 1.563375 1.889246
O 5.344613 0.477638 -2.646856
O 4.533804 -4.462946 0.094995
O 5.663865 -3.494284 1.876946
N -2.178485 3.000776 0.207779
N 3.998700 0.796129 -0.293908
N -4.057663 0.725602 0.178509
N -4.050842 -0.824076 -2.243994
N -5.131403 -2.606742 -1.099785
N -5.664755 -2.386694 1.310457
N -5.118597 -0.423411 2.490156
N -6.187478 -4.307109 0.097257
C 5.414055 0.435335 -0.173937
C 5.648613 -0.894592 0.607433
C -0.852533 2.572034 0.328841
C 4.960275 -2.101112 -0.052322
C -2.983865 2.647321 -0.967621
C 1.899867 1.752324 0.575870
C 3.330359 1.372881 0.781970
C -0.216998 1.784074 -0.685162
C -0.073470 2.914963 1.481360
C 5.995560 0.372076 -1.580520
C 1.125643 1.392061 -0.559563
C 1.264049 2.511432 1.592671
C -3.534683 1.221070 -0.970752
C -2.840004 3.669260 1.337452
C 5.112942 -3.369571 0.762168
C -3.540658 0.422796 -2.163558
C -4.571916 -0.541720 0.127578
C -4.594406 -1.344956 -1.073963
C -5.136630 -1.144637 1.332287
C -5.636703 -3.051325 0.087330
H 5.940482 1.228624 0.393786
H 5.258733 -0.741908 1.627663
H 6.735615 -1.066754 0.691838
H 5.353945 -2.305257 -1.067297
H 3.877338 -1.908631 -0.180873
H 3.601003 0.787691 -1.236686
H -3.835619 3.352084 -1.015090
H -2.399637 2.811285 -1.893642
H -0.774423 1.451660 -1.564761
H -0.514682 3.503685 2.289801
H 1.547342 0.767585 -1.356798
H 1.855634 2.774390 2.476100
H -3.890901 3.866933 1.076720
H -2.355285 4.635727 1.580347
H -2.831114 3.036428 2.247234
H -3.107377 0.825039 -3.088848
H 7.718151 0.121512 -2.492105
H 4.638362 -5.278699 0.656551
H -5.494605 -0.826857 3.345084
H -4.697923 0.505599 2.470553
H -6.569265 -4.677532 0.963312
H -6.191554 -4.846265 -0.764990


