%chk=000176205.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176205

0 1
 O    1.512100      0.7353000      -1.658000    
 O  -0.5898000      -4.019900     -0.5815000    
 O    3.202500      0.7372000       1.449300    
 O    3.392800      -1.373300      0.5377000    
 O   -4.108900     -0.6837000       1.349000    
 N   0.3225000      -1.343600     -0.1908000    
 N   -3.673500       1.339400      0.2195000    
 C   0.5789000      -1.775800       1.163900    
 C  -0.3669000     -0.1535000     -0.4590000    
 C   0.7882000      -2.185900      -1.293100    
 C    1.461800     -0.7691000       1.892700    
 C   0.2392000      0.8692000      -1.188700    
 C   -1.670900      3.1999999E-03  1.0400000E-02
 C  -0.2968000      -3.173900      -1.686300    
 C   -2.369000       1.182500     -0.2498000    
 C  -0.4587000       2.048600      -1.449000    
 C   -1.762700       2.205200     -0.9795000    
 C    2.792800     -0.5438000       1.207300    
 C    2.049400       1.832300      -2.393600    
 C    4.448600       1.109100      0.8513000    
 C   -4.440700      0.4322000      0.9623000    
 C    4.758900       2.546300       1.211200    
 C   -5.809800      0.9822000       1.274800    
 H    1.074700      -2.754500       1.176300    
 H  -0.3599000      -1.908500       1.714300    
 H    1.684100      -2.737900     -0.9856000    
 H    1.070300      -1.601100      -2.173900    
 H    1.669800      -1.124500       2.908000    
 H   0.9379000      0.1901000       1.981400    
 H   -2.096500     -0.8266000      0.5571000    
 H   -1.216600      -2.660600      -1.984600    
 H   4.3800000E-02  -3.798300      -2.518300    
 H  -5.4400001E-02   2.885400      -2.007600    
 H   -2.295900       3.129200      -1.189000    
 H   -4.114400       2.227200     -1.2100000E-02
 H   -1.282000      -4.638100     -0.8718000    
 H    4.376500       1.006800     -0.2371000    
 H    5.242800      0.4540000       1.226100    
 H    1.489700       2.013200      -3.317500    
 H    2.136200       2.730600      -1.772900    
 H    3.066300       1.553100      -2.689100    
 H    3.964300       3.211400      0.8571000    
 H    4.814900       2.668200       2.297900    
 H    5.707800       2.863900      0.7703000    
 H   -6.335700       1.218900      0.3456000    
 H   -5.714600       1.886600       1.881900    
 H   -6.389400      0.2400000       1.830600    


%chk=000176205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176205

0 1
O 0.974454 0.441550 -2.927336
O -0.028096 -4.067670 -1.046169
O 2.965265 0.740495 2.196559
O 3.386853 -1.306326 1.171309
O -3.179711 0.004988 2.229291
N 0.571328 -1.165475 -0.584304
N -3.478470 1.489908 0.429667
C 0.529627 -1.705820 0.796155
C -0.338900 -0.151805 -0.953470
C 1.210733 -2.045043 -1.591481
C 1.074586 -0.698387 1.829143
C -0.180422 0.661247 -2.137577
C -1.447458 0.153065 -0.109310
C 0.279801 -3.133047 -2.145344
C -2.368596 1.180186 -0.418528
C -1.124389 1.660831 -2.451493
C -2.219348 1.933550 -1.605582
C 2.572610 -0.494797 1.671930
C 1.203151 1.333107 -4.063131
C 4.428540 1.042120 2.140480
C -3.832326 0.930154 1.654309
C 4.616794 2.419400 2.768955
C -5.098492 1.516227 2.280684
H 1.154535 -2.610998 0.808887
H -0.487277 -2.033656 1.085305
H 2.086793 -2.520534 -1.116971
H 1.567122 -1.433438 -2.433712
H 0.887101 -1.083211 2.852244
H 0.564496 0.276973 1.766327
H -1.621123 -0.414290 0.803463
H -0.647193 -2.668127 -2.543341
H 0.801153 -3.662332 -2.973474
H -0.997709 2.263320 -3.355358
H -2.927180 2.730227 -1.863689
H -4.090359 2.230289 0.080619
H -0.707698 -4.721728 -1.345225
H 4.748331 1.009642 1.083159
H 4.970728 0.248286 2.686179
H 0.406960 1.235078 -4.827632
H 1.274541 2.389074 -3.736677
H 2.165229 1.011058 -4.489549
H 4.048186 3.185148 2.214056
H 4.272485 2.423774 3.817337
H 5.686571 2.697763 2.751934
H -5.557689 2.330219 1.692377
H -4.855098 1.898429 3.286962
H -5.840743 0.709271 2.409222


