%chk=000135684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135684

0 1
 O    6.378500      0.5815000     -8.8100001E-02
 O   -1.500500       1.563200     -0.4145000    
 N   -3.189100      0.5130000      0.7781000    
 N   -5.837900      0.5422000     -0.3473000    
 N   0.8532000      0.4625000      4.9800001E-02
 C   0.1831000     -0.7060000      3.5500001E-02
 C   0.8482000      -1.942600     -1.4900000E-02
 C   -1.208800     -0.7122000      7.1199998E-02
 C    2.947100     -0.7196000     -3.5900000E-02
 C   -5.021100       1.746900     -0.2792000    
 C   -4.054500       1.664900      0.8931000    
 C    2.199900      0.4693000      1.5300000E-02
 C    2.246200      -1.929800     -5.0600000E-02
 C   -1.954600      0.5407000      0.1234000    
 C   0.1183000      -3.144000     -2.8300000E-02
 C   -1.937300      -1.904200      5.7999998E-02
 C    4.351800     -0.6770000     -7.0799999E-02
 C   -1.272700      -3.122800      8.2000000E-03
 C    2.891800       1.677400      3.0099999E-02
 C    5.019700      0.5439000     -5.5100001E-02
 C    4.287700       1.723300     -4.6000001E-03
 C   -6.744700      0.5973000      -1.495900    
 C   -6.598800      0.3633000      0.8908000    
 C    6.994400       1.868900     -6.8400003E-02
 H   -5.639600       2.648100     -0.1785000    
 H   -4.444600       1.851200      -1.207300    
 H   -4.546000       1.633800       1.869600    
 H   -3.429900       2.566200      0.8953000    
 H    2.793900      -2.870500     -9.0000004E-02
 H   -3.498600     -0.3301000       1.249800    
 H   0.6304000      -4.102800     -6.9200002E-02
 H   -3.023300      -1.925600      4.8700001E-02
 H    4.927900      -1.599500     -0.1102000    
 H   -1.833400      -4.052300     -1.0800000E-02
 H    2.339500       2.614700      6.9499999E-02
 H    4.734200       2.711800      1.0500000E-02
 H   -6.178400      0.7012000      -2.428200    
 H   -7.450700       1.432800      -1.425400    
 H   -7.316900     -0.3333000      -1.580600    
 H   -7.163000       1.261100       1.168800    
 H   -5.962200      6.3400000E-02   1.728500    
 H   -7.318000     -0.4575000      0.7788000    
 H    6.775800       2.404800      0.8615000    
 H    6.730500       2.454200     -0.9558000    
 H    8.077300       1.710000     -9.9600002E-02


%chk=000135684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135684

0 1
O 4.150132 0.711631 2.338159
O -3.998540 -1.318763 -2.914647
N -3.053291 -0.054505 -1.196949
N -3.190735 1.902892 1.024308
N -0.468012 -0.462868 -0.636217
C -0.446214 -1.413917 -1.621170
C 0.779528 -2.155389 -1.926390
C -1.653641 -1.697187 -2.380243
C 1.929224 -0.879228 -0.159306
C -4.351969 1.091219 0.570557
C -4.282274 0.684897 -0.911763
C 0.664234 -0.191831 0.079773
C 1.946021 -1.864159 -1.179923
C -2.995292 -1.006093 -2.183747
C 0.764137 -3.149254 -2.966176
C -1.603931 -2.673588 -3.378801
C 3.072220 -0.536429 0.630147
C -0.405575 -3.400641 -3.675111
C 0.600869 0.809225 1.107108
C 2.976029 0.445144 1.619176
C 1.726244 1.124451 1.861614
C -3.158748 2.013580 2.499491
C -3.126392 3.232515 0.377735
C 4.108923 1.738290 3.383950
H -5.319079 1.632983 0.739124
H -4.374229 0.172896 1.186723
H -4.363694 1.576472 -1.568310
H -5.145852 0.042188 -1.163726
H 2.873584 -2.408852 -1.395823
H -2.171748 0.133048 -0.667763
H 1.686597 -3.699788 -3.186752
H -2.530462 -2.861352 -3.932438
H 4.032357 -1.037081 0.468441
H -0.419915 -4.156580 -4.467370
H -0.365417 1.301494 1.265824
H 1.658016 1.889412 2.640985
H -3.119793 1.005074 2.947928
H -4.047724 2.547250 2.922084
H -2.254415 2.566073 2.814234
H -4.025706 3.864509 0.590890
H -3.033056 3.123409 -0.715451
H -2.233269 3.773698 0.738024
H 3.398262 1.468952 4.188976
H 3.846957 2.730242 2.968033
H 5.130440 1.767760 3.790094


