%chk=000100188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100188

0 1
 O   -3.652300      -2.163200      -1.128000    
 O   -4.804400      -1.091000      0.6959000    
 O  -0.8310000      -1.994300      -1.518100    
 O    5.155200      -1.600900      9.8999999E-03
 O    4.353200      0.3580000      -1.739100    
 O  -0.6500000       4.537600     -0.3712000    
 N  -0.5022000       2.216900     -0.4611000    
 C   0.5327000       2.048300      0.5413000    
 C  -3.8899999E-02   2.097600       1.976400    
 C  -0.6184000      0.8041000       2.564000    
 C   -1.397100     -1.7999999E-02   1.569100    
 C    1.376900      0.8209000      0.1876000    
 C  -0.7146000     -0.6574000      0.4968000    
 C   0.7653000     -0.5040000      0.3753000    
 C   -1.435200      -1.397700     -0.4564000    
 C   -2.790100     -0.1350000       1.686300    
 C   -2.803300      -1.489400     -0.3046000    
 C   -3.460600     -0.8775000      0.7362000    
 C    2.590700       1.041400     -0.3502000    
 C    1.448600      -1.651300      0.5506000    
 C    3.612100      6.7599997E-02 -0.8018000    
 C    2.871600      -1.866500      0.5873000    
 C   -1.000600       3.452300     -0.8268000    
 C   -4.918400      -1.907400     -0.4873000    
 C    3.838100      -1.173200     -2.5599999E-02
 C   -2.046100       3.343600      -1.904200    
 C  -0.7124000      -1.226400      -2.715500    
 C    5.831300      -1.034900       1.113300    
 H    1.160900       2.946900      0.4607000    
 H  -0.8160000       2.872500       2.021600    
 H   0.7546000       2.434200       2.657200    
 H   0.1886000      0.1869000       2.980400    
 H   -1.249300       1.059100       3.425100    
 H   -3.330000      0.3474000       2.494200    
 H  -0.8689000       1.399500     -0.9384000    
 H    2.900200       2.069500     -0.5359000    
 H   0.8990000      -2.574800      0.7413000    
 H    3.161300      -2.771500       1.120700    
 H   -5.577000      -1.400100      -1.201600    
 H   -5.371700      -2.866100     -0.2100000    
 H   -2.804500       2.607500      -1.621700    
 H   -1.574100       3.038800      -2.842300    
 H   -2.533200       4.312400      -2.044600    
 H  -0.2456000      -1.855000      -3.478800    
 H  -7.9400003E-02 -0.3491000      -2.552300    
 H   -1.698700     -0.9155000      -3.074100    
 H    6.866300      -1.389500       1.097900    
 H    5.382500      -1.350300       2.061800    
 H    5.850300      5.9000000E-02   1.052400    


%chk=000100188-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100188

0 1
O -3.827049 -1.978625 -1.285034
O -4.964302 -1.073000 0.610669
O -0.748028 -1.687064 -1.617833
O 5.118938 -1.695880 0.293910
O 4.978205 1.133300 -0.102700
O 0.252266 4.455029 -0.934667
N -0.568454 2.361188 -0.316022
C 0.409228 2.176445 0.777004
C -0.253065 2.175837 2.190894
C -0.737379 0.783773 2.682069
C -1.509430 0.027944 1.614679
C 1.318922 0.946569 0.548409
C -0.795107 -0.497036 0.493228
C 0.703249 -0.362971 0.421757
C -1.503059 -1.200226 -0.548610
C -2.917236 -0.126036 1.733586
C -2.894149 -1.353086 -0.397688
C -3.570984 -0.822318 0.717724
C 2.680422 1.247004 0.464289
C 1.416879 -1.563587 0.266880
C 3.903416 0.488014 0.201237
C 2.808239 -1.842086 0.248030
C -0.561681 3.497678 -1.114233
C -5.085319 -2.051625 -0.495959
C 3.922952 -0.995890 0.289019
C -1.605870 3.518707 -2.227660
C -1.423118 -1.961745 -2.904160
C 6.410140 -1.081529 0.692774
H 1.032610 3.085375 0.712669
H -1.097306 2.889811 2.160426
H 0.480534 2.567914 2.921372
H 0.145559 0.189870 2.986444
H -1.361721 0.917823 3.583669
H -3.461047 0.275732 2.591593
H -1.241622 1.616495 -0.500715
H 2.932283 2.316142 0.516567
H 0.793657 -2.462017 0.188645
H 3.075705 -2.906106 0.207752
H -5.928671 -1.765644 -1.140803
H -5.184383 -3.069130 -0.069879
H -2.270531 2.637032 -2.226196
H -1.088482 3.575668 -3.201216
H -2.218778 4.430957 -2.129877
H -0.603424 -2.204026 -3.596207
H -1.967939 -1.067414 -3.257228
H -2.122290 -2.809068 -2.816438
H 7.107774 -1.932993 0.697623
H 6.329504 -0.643741 1.703263
H 6.705341 -0.299463 -0.019359


