%chk=000060631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060631

0 1
 O    1.547900      0.3095000      -1.674300    
 O    2.085400       2.281700       1.839100    
 O  -0.5365000       2.611400       1.913500    
 O   -5.620300      0.5397000      -1.057100    
 N   0.5905000       1.245700      0.3645000    
 C   0.4835000      0.2309000     -0.7099000    
 C   0.3060000      -1.207200     -0.2424000    
 C    3.005600       1.023900      0.1096000    
 C    1.860800       1.577600      0.8577000    
 C    2.790600      0.4330000      -1.129600    
 C  -0.5434000       1.822400      0.9688000    
 C  -0.4329000      -2.097800      -1.014600    
 C   0.8833000      -1.620500      0.9543000    
 C    4.306100       1.137000      0.6126000    
 C   -1.871700       1.487100      0.4393000    
 C    3.869500     -2.5100000E-02  -1.886800    
 C  -1.9800000E-02  -3.835200      0.6128000    
 C  -0.5964000      -3.415100     -0.5859000    
 C   0.7201000      -2.937700       1.383000    
 C    5.383600      0.6602000     -0.1355000    
 C    5.166000      8.3300002E-02  -1.385800    
 C   -2.566600      0.3951000      0.9524000    
 C   -2.429400       2.262900     -0.5737000    
 C  -0.1942000      -5.243600       1.071400    
 C   -3.827800      7.6600000E-02  0.4492000    
 C   -3.690800       1.944600      -1.077000    
 C   -4.390100      0.8513000     -0.5655000    
 C   -6.279000     -0.5917000     -0.4899000    
 H  -0.4077000      0.4821000      -1.292500    
 H  -0.8861000      -1.782000      -1.950200    
 H    1.461800     -0.9553000       1.584800    
 H    4.501100       1.595500       1.578100    
 H    3.706800     -0.4745000      -2.862700    
 H   -1.176700      -4.104200      -1.193900    
 H    1.171700      -3.252700       2.320100    
 H    6.394000      0.7464000      0.2534000    
 H    6.006300     -0.2801000      -1.970100    
 H   -2.138500     -0.2125000       1.745500    
 H   -1.892100       3.116100     -0.9793000    
 H   -1.087500      -5.326400       1.698300    
 H  -0.2976000      -5.926300      0.2212000    
 H   0.6730000      -5.581000       1.649300    
 H   -4.315300     -0.7854000      0.8917000    
 H   -4.123200       2.551400      -1.867800    
 H   -7.243100     -0.6932000     -0.9989000    
 H   -6.493200     -0.4412000      0.5737000    
 H   -5.721200      -1.516200     -0.6742000    


%chk=000060631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060631

0 1
O 1.418621 0.140700 -1.788291
O 1.813819 1.686262 2.065498
O -0.178208 3.276297 0.622281
O -6.103579 1.198330 -0.619856
N 0.436995 1.036666 0.253520
C 0.344973 -0.033181 -0.747159
C 0.424415 -1.447719 -0.168220
C 2.871361 0.693434 0.120601
C 1.716730 1.170385 0.924560
C 2.699571 0.273457 -1.228686
C -0.535399 2.106201 0.331439
C 0.532082 -2.543918 -1.060062
C 0.346523 -1.702101 1.221236
C 4.185128 0.781217 0.650157
C -1.964051 1.763424 0.050179
C 3.811779 -0.003035 -2.051175
C 0.498833 -4.131090 0.824767
C 0.572855 -3.863739 -0.568474
C 0.388284 -3.027495 1.707287
C 5.299684 0.482743 -0.152865
C 5.108237 0.102210 -1.507869
C -2.540900 0.499363 0.333221
C -2.806090 2.806859 -0.431606
C 0.518884 -5.555735 1.349716
C -3.917023 0.266478 0.130662
C -4.171006 2.586002 -0.651398
C -4.734357 1.311404 -0.371687
C -6.750002 -0.087856 -0.332902
H -0.574743 0.106469 -1.335306
H 0.607709 -2.355616 -2.136965
H 0.266289 -0.868293 1.927261
H 4.295636 1.114760 1.687234
H 3.646138 -0.310259 -3.087950
H 0.667429 -4.699752 -1.272104
H 0.340725 -3.204250 2.788482
H 6.311273 0.555523 0.258538
H 5.974717 -0.122327 -2.139692
H -1.927127 -0.307243 0.746837
H -2.363261 3.790816 -0.615371
H -0.505276 -5.973877 1.403854
H 1.109489 -6.220493 0.695179
H 0.947735 -5.606019 2.365714
H -4.336015 -0.714167 0.373335
H -4.826173 3.376372 -1.028871
H -7.805760 0.057475 -0.602843
H -6.669635 -0.344246 0.740737
H -6.314810 -0.899938 -0.946246


