%chk=000068675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068675

0 1
 O    2.423200      -3.286700      0.2506000    
 O    3.972700      -1.919800       1.197900    
 N   0.5095000     -5.3800002E-02 -0.9711000    
 N    1.000300      -1.263800     -0.6548000    
 C  -0.7151000      3.1300001E-02  -1.732900    
 C   -1.912000      7.6300003E-02 -0.8239000    
 C    1.262800      0.9941000     -0.5145000    
 C    2.332900      0.4112000      0.1552000    
 C   -2.541300      -1.096400     -0.4240000    
 C    2.109300     -0.9769000      3.0500000E-02
 C   -2.375300       1.313800     -0.3929000    
 C    1.098400       2.376100     -0.6305000    
 C   -3.650300      -1.030900      0.4194000    
 C   -4.121900      0.2069000      0.8567000    
 C    3.303600       1.234700      0.7495000    
 C   -3.484400       1.379200      0.4505000    
 C   -2.054800      -2.432800     -0.8796000    
 C    2.073200       3.182500     -3.4100000E-02
 C    3.157500       2.623600      0.6448000    
 C   -5.307600      0.2773000       1.758400    
 C    2.919200      -2.045800      0.5447000    
 H  -0.7386000     -0.7980000      -2.446200    
 H  -0.6699000      0.9339000      -2.354800    
 H   -1.905200       2.238600     -0.7100000    
 H   0.2710000       2.821300      -1.169300    
 H   -4.151300      -1.941800      0.7388000    
 H    4.153500      0.8181000       1.280900    
 H   -3.845400       2.349900      0.7800000    
 H   -2.772300      -3.219800     -0.6173000    
 H   -1.949600      -2.480500      -1.967100    
 H   -1.113400      -2.697500     -0.3939000    
 H    1.986100       4.263900     -0.1042000    
 H    3.900500       3.274900       1.098000    
 H   -6.228500      0.2958000       1.167300    
 H   -5.339800     -0.5843000       2.434000    
 H   -5.276700       1.174700       2.385800    
 H    2.992100      -3.999600      0.6119000    


%chk=000068675-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068675

0 1
O 3.370971 -3.262189 -1.304458
O 4.641321 -1.891203 0.078571
N 0.504911 -0.286903 -1.143304
N 1.313669 -1.392607 -1.341384
C -0.790384 -0.224387 -1.851666
C -1.992260 0.059856 -0.959314
C 1.104513 0.667184 -0.311923
C 2.386315 0.129901 0.047426
C -2.382836 -0.830811 0.086905
C 2.453958 -1.150442 -0.621732
C -2.769066 1.215847 -1.208048
C 0.657414 1.928713 0.150304
C -3.537339 -0.516506 0.843145
C -4.320788 0.641067 0.600710
C 3.255584 0.868858 0.891856
C -3.918487 1.509043 -0.443026
C -1.589077 -2.085029 0.409098
C 1.536194 2.644023 0.983535
C 2.817037 2.123852 1.349883
C -5.565074 0.921351 1.425424
C 3.576855 -2.091285 -0.566046
H -0.877806 -1.203856 -2.353707
H -0.724558 0.550658 -2.639038
H -2.472365 1.896135 -2.017093
H -0.327600 2.323941 -0.110462
H -3.838605 -1.200757 1.647322
H 4.231439 0.458349 1.164213
H -4.503313 2.411228 -0.657514
H -2.174225 -2.767081 1.048949
H -1.288017 -2.637677 -0.499126
H -0.652755 -1.841937 0.946179
H 1.230005 3.623868 1.366468
H 3.464417 2.719684 2.002444
H -6.390007 0.237947 1.145914
H -5.376064 0.777234 2.504728
H -5.924508 1.954089 1.277255
H 4.182934 -3.830459 -1.208691


