%chk=000122427.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122427

0 1
 O   0.9398000      -3.089100     -0.3028000    
 O   -2.453700       2.488400     -0.1579000    
 N    1.351900     -0.3165000     -0.5448000    
 N   -3.395700      0.3457000      0.1252000    
 C    1.614000       1.104200     -0.6762000    
 C    1.635400       1.765100      0.7058000    
 C    2.929800       1.329300      -1.427600    
 C    2.867100       1.381400       1.526100    
 C    4.156900      0.9470000     -0.5998000    
 C    4.159100       1.641700      0.7583000    
 C   9.3300000E-02 -0.8435000     -0.3208000    
 C  -0.1154000      -2.232800     -0.1995000    
 C   -1.026700      4.9000001E-03 -0.2082000    
 C   -2.302000     -0.5137000      1.6200000E-02
 C   -1.390600      -2.751400      2.4700001E-02
 C   -2.484000      -1.891800      0.1324000    
 C    1.629700      -3.414900      0.9019000    
 C   -3.409200       1.744200      3.6899999E-02
 C   -4.799700       2.301800      0.2100000    
 H   0.8450000       1.574200      -1.301000    
 H   0.7402000       1.530700       1.290800    
 H    1.636300       2.854700      0.5700000    
 H    3.007800       2.390100      -1.698900    
 H    2.935400      0.7616000      -2.366100    
 H    2.812200      0.3215000       1.803000    
 H    2.876200       1.952400       2.461600    
 H    5.065400       1.218500      -1.149800    
 H    4.192000     -0.1392000     -0.4559000    
 H    4.286400       2.721800      0.6148000    
 H    5.015100       1.295500       1.348300    
 H    2.130000     -0.9650000     -0.5799000    
 H  -0.8755000       1.066100     -0.3030000    
 H   -1.540200      -3.823800      0.1156000    
 H   -3.472100      -2.309900      0.3072000    
 H   -4.291200     -0.1097000      0.2893000    
 H   0.9645000      -3.945200       1.590700    
 H    2.024500      -2.513800       1.381800    
 H    2.467100      -4.071300      0.6500000    
 H   -5.449000       1.928800     -0.5870000    
 H   -4.769700       3.393900      0.1625000    
 H   -5.202400       2.000300       1.181000    


%chk=000122427-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122427

0 1
O 1.274125 -2.796340 0.194517
O -2.669361 2.492528 -0.252571
N 1.449188 -0.203961 -0.363559
N -3.448202 0.325513 0.230055
C 1.755813 1.189306 -0.729352
C 1.760225 2.145991 0.500694
C 3.126695 1.240982 -1.452319
C 2.940927 1.855936 1.456112
C 4.317756 0.964256 -0.499588
C 4.297577 1.924602 0.713541
C 0.182101 -0.689299 -0.074432
C 0.047382 -2.088311 0.224280
C -0.983212 0.120559 -0.074504
C -2.247478 -0.452694 0.213272
C -1.208496 -2.647894 0.505753
C -2.366512 -1.833530 0.503086
C 1.224267 -4.229487 0.468299
C -3.616622 1.690174 0.014303
C -5.062506 2.177821 0.125269
H 0.974797 1.536479 -1.437772
H 0.799166 2.063392 1.040199
H 1.830501 3.188027 0.126155
H 3.245929 2.255142 -1.881937
H 3.126860 0.527847 -2.299657
H 2.811648 0.845401 1.893988
H 2.927987 2.573605 2.298958
H 5.268368 1.068099 -1.057634
H 4.286436 -0.083691 -0.134658
H 4.465588 2.962311 0.356515
H 5.128420 1.684034 1.405028
H 2.205232 -0.888839 -0.339170
H -0.933008 1.187325 -0.291462
H -1.306601 -3.714231 0.730369
H -3.344378 -2.275567 0.728569
H -4.297048 -0.204158 0.437941
H 0.594591 -4.757752 -0.274632
H 0.838522 -4.429729 1.487403
H 2.264040 -4.580941 0.390059
H -5.349478 2.664507 -0.822824
H -5.121075 2.945061 0.916732
H -5.792164 1.379729 0.349876


