%chk=000052512.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052512

1 1
 O   0.7075000       1.278400       2.146100    
 O   -3.793400      -2.721600     -5.9000000E-02
 N    2.223800     -0.8966000      0.8077000    
 N   -3.047500       2.721700     -0.6737000    
 C    1.101000     -3.5399999E-02  0.1650000    
 C    3.284200       1.033600     -0.5527000    
 C    3.097600      -1.475000     -0.3345000    
 C    1.753700       1.141800     -0.5831000    
 C    3.680700     -0.3222000      -1.167600    
 C    3.129400     -5.4499999E-02   1.717600    
 C    3.719000       1.104600      0.9176000    
 C    1.653200      -2.068100       1.601200    
 C   6.7199998E-02  0.4491000       1.180300    
 C    5.165700     -0.4633000      -1.331300    
 C   0.7399000      -2.877700      0.7071000    
 C   -1.051900       1.218600      0.5225000    
 C    5.776400     -0.6281000      -2.509600    
 C   -2.219700      0.5909000      8.9100003E-02
 C  -0.8728000       2.579600      0.3654000    
 C   -3.209500       1.394500     -0.5146000    
 C   -2.422100     -0.7915000      0.2390000    
 C   -1.896900       3.282600     -0.2363000    
 C   -4.378500      0.7768000     -0.9504000    
 C   -3.600900      -1.383000     -0.2059000    
 C   -4.580000     -0.5976000     -0.8014000    
 C   -5.026000      -3.257700     -0.5388000    
 H   0.6237000     -0.6475000     -0.6068000    
 H    3.726300       1.864000      -1.116000    
 H    2.465300      -2.090900     -0.9809000    
 H    3.862600      -2.111900      0.1259000    
 H    1.521300       2.120100     -0.1677000    
 H    1.398700       1.159100      -1.621700    
 H    3.224200     -0.3776000      -2.166900    
 H    3.938100     -0.7194000       2.047700    
 H    2.598000      0.2465000       2.621400    
 H    3.385400       2.052800       1.357900    
 H    4.810600       1.107900       1.011900    
 H    2.492900      -2.675200       1.959100    
 H    1.130000      -1.672500       2.476400    
 H  -0.3493000     -0.3691000       1.767100    
 H    5.783400     -0.4507000     -0.4370000    
 H   0.1607000      -3.561200       1.340300    
 H   1.7000001E-02  -2.341400      0.1052000    
 H    1.312500      -3.528700      3.7999999E-02
 H   3.7500001E-02   1.559200       2.793000    
 H    6.854700     -0.7342000      -2.558800    
 H    5.219800     -0.6600000      -3.439600    
 H  -1.1700000E-02   3.129700      0.7231000    
 H   -1.709700      -1.438300      0.7295000    
 H   -1.825800       4.355900     -0.3797000    
 H   -5.160400       1.371100      -1.420000    
 H   -5.522800     -0.9848000      -1.172500    
 H   -5.123800      -3.133100      -1.622500    
 H   -5.882600      -2.845300      5.1000002E-03
 H   -5.009200      -4.334400     -0.3405000    


%chk=000052512-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052512

1 1
O 0.700575 1.246681 2.571718
O -3.341053 -2.724853 -0.848815
N 2.283547 -0.768428 1.080800
N -3.145686 2.877388 -0.413577
C 1.091038 0.061956 0.480274
C 3.174142 0.946408 -0.685126
C 2.964963 -1.492103 -0.101197
C 1.699484 1.248548 -0.321676
C 3.255403 -0.498935 -1.270797
C 3.336089 0.186198 1.711157
C 4.013773 1.042570 0.611209
C 1.858714 -1.779147 2.167798
C 0.013895 0.488058 1.518288
C 4.582400 -0.827418 -1.927444
C 0.924942 -2.906131 1.707317
C -1.092538 1.296949 0.834559
C 4.726022 -1.181624 -3.227140
C -2.153049 0.639972 0.103000
C -1.102304 2.693651 0.917679
C -3.160176 1.493641 -0.509102
C -2.273053 -0.772053 -0.048011
C -2.145538 3.442817 0.285613
C -4.229086 0.891482 -1.243990
C -3.335565 -1.333161 -0.775338
C -4.325802 -0.492041 -1.383541
C -4.447612 -3.388765 -1.559858
H 0.594593 -0.643792 -0.211051
H 3.539457 1.669578 -1.432407
H 2.305982 -2.310792 -0.427653
H 3.894532 -1.929509 0.304261
H 1.645732 2.173473 0.278231
H 1.090842 1.407223 -1.227767
H 2.461838 -0.599572 -2.036180
H 4.057178 -0.462517 2.236382
H 2.782085 0.791620 2.442168
H 4.061502 2.091502 0.949509
H 5.051856 0.713514 0.434251
H 2.800047 -2.209392 2.553873
H 1.414240 -1.175474 2.975614
H -0.441760 -0.418260 1.968089
H 5.476678 -0.760873 -1.288361
H 0.584447 -3.452145 2.604569
H 0.022391 -2.544631 1.188729
H 1.428135 -3.640466 1.057536
H 0.030047 1.646336 3.182552
H 5.710688 -1.394368 -3.656014
H 3.867363 -1.264524 -3.905484
H -0.315843 3.228748 1.459746
H -1.566918 -1.469319 0.412310
H -2.155108 4.536178 0.353163
H -4.969217 1.562666 -1.689163
H -5.156167 -0.924714 -1.948156
H -4.464661 -3.101638 -2.627457
H -5.419519 -3.157307 -1.086735
H -4.236466 -4.463203 -1.467655


