%chk=000134431.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134431

0 1
 O  -0.1408000     -0.1202000       1.846300    
 O    5.582400     -0.2961000     -0.6903000    
 N  -0.9633000      -2.451500       1.302100    
 C   5.9200000E-02 -0.4277000      0.4531000    
 C  -0.8244000      0.6612000     -0.3613000    
 C    1.575400     -0.3914000      0.1394000    
 C  -0.5178000       2.109500     -0.1811000    
 C   -2.345100      0.3632000     -0.2625000    
 C  -0.4383000      -1.872100      0.2268000    
 C    1.956800     -0.1114000      -1.143000    
 C    2.446700     -0.6416000       1.162700    
 C  -0.7506000       3.006600      -1.223700    
 C   -2.898200     -0.4448000      -1.214100    
 C   1.2000001E-03   2.567400       1.030000    
 C   -3.038300      0.9264000      0.7702000    
 C  -0.2941000      -2.396900      -1.020500    
 C    3.322300     -7.9099998E-02  -1.425600    
 C    3.812200     -0.6090000      0.8802000    
 C  -0.4640000       4.361200      -1.055300    
 C   -4.264300     -0.7127000      -1.125500    
 C   0.2876000       3.922200       1.198400    
 C   -4.404300      0.6583000      0.8588000    
 C    4.250100     -0.3277000     -0.4140000    
 C  -0.7518000      -3.698800      -1.190600    
 C   5.5000000E-02   4.819100      0.1556000    
 C   -5.017200     -0.1612000     -8.9100003E-02
 C   -1.397200      -3.715700       1.098500    
 C   -1.315300      -4.377700     -0.1159000    
 C    6.476200     -0.5595000      0.3903000    
 H  -0.6098000      0.4758000      -1.422300    
 H  -0.9725000     -0.5278000       2.141200    
 H    1.278900      8.3300002E-02  -1.962700    
 H    2.127900     -0.8763000       2.172400    
 H   -1.155500       2.666000      -2.173100    
 H   -2.335600     -0.8532000      -2.045400    
 H   0.2030000       1.954200       1.892600    
 H   -2.581900       1.551100       1.528800    
 H   0.1153000      -1.873500      -1.872100    
 H    3.658100      0.1393000      -2.435800    
 H    4.478000     -0.8146000       1.711500    
 H  -0.6455000       5.059800      -1.867000    
 H   -4.743000      -1.344800      -1.867700    
 H   0.6894000       4.280800       2.141600    
 H   -4.990100       1.084300       1.668100    
 H  -0.6763000      -4.181100      -2.160500    
 H   0.2773000       5.874000      0.2870000    
 H   -6.080900     -0.3693000     -2.0400001E-02
 H   -1.829300      -4.200700       1.967600    
 H   -1.680800      -5.392200     -0.2259000    
 H    6.350900      -1.576500      0.7772000    
 H    6.390300      0.1976000       1.177100    
 H    7.493800     -0.4923000     -8.2999999E-03


%chk=000134431-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134431

0 1
O -0.302963 -0.291767 1.842118
O 5.677558 -0.103592 -0.532336
N -1.119910 -2.551681 1.065428
C -0.022439 -0.463663 0.420629
C -0.889991 0.549839 -0.442302
C 1.492658 -0.312635 0.178388
C -0.466910 2.017396 -0.296890
C -2.391125 0.361046 -0.178400
C -0.458217 -1.912712 0.057655
C 2.035454 0.033546 -1.087952
C 2.390043 -0.588772 1.234443
C -0.605387 2.872745 -1.420306
C -3.201383 -0.303688 -1.133423
C 0.009115 2.569509 0.920346
C -2.998886 0.837801 1.011911
C -0.215171 -2.536825 -1.186972
C 3.425001 0.094871 -1.291133
C 3.789167 -0.532152 1.049750
C -0.278540 4.243978 -1.338628
C -4.583920 -0.495020 -0.909816
C 0.341025 3.940090 1.002545
C -4.378830 0.644717 1.240174
C 4.309835 -0.192560 -0.222889
C -0.689970 -3.849257 -1.391288
C 0.198311 4.784668 -0.122179
C -5.178104 -0.022316 0.282062
C -1.575231 -3.819423 0.868718
C -1.387506 -4.506084 -0.349056
C 6.630309 -0.369992 0.546878
H -0.723880 0.266585 -1.501183
H -0.852449 -1.114387 2.081807
H 1.379900 0.292256 -1.926661
H 1.973933 -0.828787 2.217181
H -0.982725 2.461854 -2.366154
H -2.747633 -0.673185 -2.062329
H 0.124324 1.917155 1.791158
H -2.388327 1.362956 1.751586
H 0.352370 -2.018034 -1.964753
H 3.846989 0.374797 -2.261133
H 4.451869 -0.745376 1.894209
H -0.392925 4.886744 -2.219185
H -5.193687 -1.007016 -1.663254
H 0.713395 4.349326 1.949031
H -4.833268 1.019599 2.164647
H -0.513238 -4.357280 -2.345311
H 0.456938 5.847565 -0.053720
H -6.250361 -0.164836 0.459145
H -2.100536 -4.283291 1.710100
H -1.769272 -5.523899 -0.472759
H 6.528165 -1.404440 0.929698
H 6.504689 0.346974 1.381694
H 7.623532 -0.239443 0.092511


