%chk=000157164.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157164

0 1
 O  -0.8751000     -0.2785000       1.972200    
 O   -4.261500      -1.965500     -0.6926000    
 O    3.881800     -0.5624000      8.2999999E-03
 O    1.979600      -2.378900     -0.9325000    
 O  -0.1462000      -1.221400      -2.521500    
 O    7.207100       1.762800       1.252100    
 N  -0.4748000     -0.6016000     -0.2957000    
 N   -2.224200      -1.479700      -1.613700    
 C   -2.811500     -0.4333000      0.5245000    
 C   -3.532900     -0.9197000       1.806200    
 C   -1.304000     -0.4499000      0.8284000    
 C   -3.315500      0.9889000      0.1878000    
 C   -3.182000      -1.378800     -0.6205000    
 C   0.9514000     -0.3506000     -0.1203000    
 C    1.735700      -1.609500      0.2456000    
 C  -0.8919000      -1.087000      -1.547900    
 C   -3.081200      -2.312000       2.190200    
 C   -2.409600       2.045300      9.0499997E-02
 C   -4.676300       1.216000     -1.8300001E-02
 C    3.073800      -1.308800      0.9130000    
 C   -2.864600       3.328500     -0.2130000    
 C   -5.131200       2.499200     -0.3220000    
 C    5.139300     -0.2378000      0.5827000    
 C    5.952400      0.5576000     -0.4326000    
 C   -4.225400       3.555400     -0.4192000    
 C    7.336100      0.9373000      9.7800002E-02
 C    8.150500       1.684500     -0.9494000    
 H   -4.621700     -0.9472000       1.676700    
 H   -3.346100     -0.2351000       2.644300    
 H    1.070300      0.4039000      0.6663000    
 H    1.344100      8.2099997E-02  -1.048500    
 H    1.151300      -2.235600      0.9307000    
 H   -2.501900      -1.971500      -2.458500    
 H   -3.283000      -3.055300       1.413900    
 H   -3.634300      -2.634100       3.080300    
 H   -2.021500      -2.375200       2.449200    
 H   -1.343000       1.927600      0.2452000    
 H   -5.404000      0.4125000      4.2500000E-02
 H    3.587100      -2.249200       1.146400    
 H    2.920900     -0.7419000       1.838500    
 H   -2.160000       4.151700     -0.2880000    
 H   -6.190300       2.676000     -0.4845000    
 H    4.981700      0.3534000       1.492000    
 H    5.670700      -1.159400      0.8476000    
 H    5.387600       1.462300     -0.6929000    
 H    6.044900     -2.3700001E-02  -1.358300    
 H    1.121400      -2.696800      -1.259000    
 H   -4.579600       4.554400     -0.6559000    
 H    7.874800      3.0400001E-02  0.3957000    
 H    7.663500       2.626500      -1.224800    
 H    8.286400       1.081700      -1.852500    
 H    9.138200       1.945200     -0.5539000    
 H    8.103300       1.960500       1.573800    


%chk=000157164-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157164

0 1
O -1.202843 -0.201841 2.203178
O -3.794193 -1.656690 -1.546538
O 3.855551 -0.393005 0.414693
O 1.693502 -2.157767 0.041532
O 0.542570 -0.156464 -2.125606
O 7.745365 1.221924 0.630555
N -0.332028 -0.112347 0.060191
N -1.653773 -0.828439 -1.788370
C -2.825338 -0.445370 0.378749
C -3.682992 -1.336009 1.335729
C -1.406981 -0.275827 0.960303
C -3.495334 0.967297 0.262016
C -2.813941 -1.053422 -1.036544
C 1.014540 0.160477 0.620242
C 1.689677 -1.148654 1.106336
C -0.415027 -0.341496 -1.333651
C -3.152454 -2.772938 1.516415
C -2.970704 2.103306 0.928296
C -4.700965 1.100062 -0.475914
C 3.121073 -0.878929 1.590062
C -3.632078 3.349777 0.844976
C -5.358805 2.346059 -0.554650
C 5.305403 -0.280442 0.642321
C 5.918610 0.301489 -0.633885
C -4.826115 3.478761 0.102436
C 7.451027 0.384796 -0.558143
C 8.072508 0.987548 -1.829473
H -4.706959 -1.363271 0.923843
H -3.721579 -0.819360 2.310503
H 0.895592 0.855704 1.467614
H 1.623246 0.623805 -0.171603
H 1.095356 -1.591379 1.922310
H -1.675099 -1.105938 -2.774976
H -3.129868 -3.320161 0.557287
H -3.814258 -3.332145 2.201860
H -2.139287 -2.779699 1.955846
H -2.061255 2.024234 1.531877
H -5.121478 0.230393 -0.992454
H 3.568580 -1.825135 1.960594
H 3.142304 -0.124169 2.406074
H -3.212770 4.217738 1.365961
H -6.287075 2.430247 -1.130574
H 5.510022 0.382406 1.506116
H 5.725339 -1.287607 0.863810
H 5.508111 1.313430 -0.806199
H 5.630764 -0.329798 -1.495705
H 2.342060 -1.844031 -0.644007
H -5.335786 4.446416 0.038548
H 7.865497 -0.636079 -0.392441
H 7.692202 2.011948 -1.992104
H 7.824098 0.377917 -2.717699
H 9.176175 1.033971 -1.754877
H 8.720416 1.392007 0.671540


