%chk=000158095.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158095

0 1
 O   0.5409000       2.655500     -0.2439000    
 O   -1.964700       3.614800     -0.1777000    
 O    4.650100      0.6475000      0.5864000    
 N   -2.368700      -2.794200     -0.1707000    
 C   -1.158800      -2.010000      0.1895000    
 C   -1.367400     -0.4972000      6.2799998E-02
 C   5.7599999E-02  -2.417900     -0.6726000    
 C   -2.670300      3.8600001E-02  6.4800002E-02
 C   -3.536600      -2.275700      0.5591000    
 C  -0.2384000      0.3593000      8.2000000E-03
 C   -3.871000     -0.8656000      8.1600003E-02
 C    1.277000      -1.589900     -0.3330000    
 C    1.121600     -0.2271000      3.0000001E-04
 C  -0.4642000       1.745300     -7.1000002E-02
 C   -2.855100       1.422000     -1.7300000E-02
 C   -2.214500      -4.222100      0.1277000    
 C   -1.756900       2.270500     -8.1600003E-02
 C    2.552500      -2.172200     -0.3926000    
 C    2.280500      0.5059000      0.3127000    
 C    3.546700     -8.4500000E-02  0.2685000    
 C    3.683300      -1.420500     -8.9699998E-02
 C   0.8820000       2.990300      -1.585400    
 C   -2.035000       4.347300       1.043400    
 C    5.909600     -1.9900000E-02  0.5305000    
 H  -0.9192000      -2.193000       1.248600    
 H  -0.1592000      -2.289500      -1.741500    
 H   0.3015000      -3.472900     -0.5072000    
 H   -3.353500      -2.280200       1.642400    
 H   -4.416800      -2.905500      0.3787000    
 H   -4.644700     -0.4466000      0.7361000    
 H   -4.281800     -0.9087000     -0.9352000    
 H   -3.860500       1.836200     -3.9099999E-02
 H   -3.144400      -4.762800     -8.4500000E-02
 H   -1.949100      -4.399200       1.176100    
 H   -1.457200      -4.685400     -0.5111000    
 H    2.667200      -3.217000     -0.6705000    
 H    2.243400       1.532500      0.6596000    
 H    4.633500      -1.939500     -0.1499000    
 H    1.080700       2.092200      -2.179300    
 H    1.789200       3.600500      -1.564900    
 H   8.2400002E-02   3.574300      -2.051400    
 H   -2.874900       3.997700       1.652200    
 H   -2.193300       5.401800      0.8019000    
 H   -1.099700       4.253500       1.604200    
 H    6.146400     -0.3485000     -0.4873000    
 H    5.964100     -0.8394000       1.255300    
 H    6.674500      0.7097000      0.8160000    


%chk=000158095-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158095

0 1
O 0.557019 2.640381 -0.219949
O -2.106501 3.624627 -0.214497
O 4.578471 0.640318 0.767609
N -2.379024 -2.879597 -0.092772
C -1.157167 -2.065780 0.148925
C -1.420827 -0.555830 0.051986
C -0.023492 -2.411221 -0.845590
C -2.738291 -0.037682 0.024886
C -3.546872 -2.341264 0.646686
C -0.285179 0.321204 -0.016284
C -3.934529 -0.973620 0.070932
C 1.222401 -1.632748 -0.465844
C 1.084030 -0.274272 -0.029601
C -0.520815 1.724170 -0.114023
C -2.941472 1.360192 -0.038638
C -2.170367 -4.312515 0.204637
C -1.847600 2.237870 -0.098142
C 2.501155 -2.219887 -0.503211
C 2.239709 0.433786 0.379665
C 3.515250 -0.175634 0.335246
C 3.661260 -1.508599 -0.116199
C 0.703727 3.234030 -1.569654
C -1.602848 4.452957 0.905680
C 5.920284 0.059500 0.746489
H -0.764199 -2.272949 1.184444
H -0.375546 -2.153178 -1.864957
H 0.200043 -3.491678 -0.836736
H -3.335274 -2.248125 1.743785
H -4.386430 -3.051196 0.532093
H -4.748246 -0.523647 0.671615
H -4.327238 -1.122856 -0.953929
H -3.951796 1.783321 -0.040186
H -3.115808 -4.857399 0.036315
H -1.844400 -4.498926 1.259952
H -1.414076 -4.748908 -0.468405
H 2.599618 -3.260066 -0.836714
H 2.165988 1.465034 0.726294
H 4.638781 -1.998229 -0.157964
H 0.937412 2.443766 -2.307350
H 1.547604 3.936964 -1.493184
H -0.220122 3.768083 -1.857232
H -2.108512 4.165568 1.847636
H -1.864636 5.489401 0.642281
H -0.509626 4.342837 1.014293
H 6.222412 -0.226825 -0.280540
H 5.990160 -0.824824 1.410573
H 6.584370 0.853843 1.118779


