%chk=000088058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088058

0 1
 O    2.022100      -2.140100      0.1429000    
 O   -4.348700     -0.7802000      0.1214000    
 N    2.186200      0.6545000     -0.1378000    
 N   -2.650100      0.8433000     -7.2999999E-02
 C   0.9416000     -6.8999999E-03 -5.0299998E-02
 C    2.517800       1.438600      -1.309600    
 C    3.139400      0.5676000      0.9494000    
 C   0.8832000      -1.393500      8.9100003E-02
 C  -0.2360000      0.7389000     -0.1043000    
 C   -1.471900      9.7900003E-02 -1.8999999E-02
 C    2.753900       2.885400     -0.9203000    
 C    2.541400       1.148600       2.216200    
 C  -0.3528000      -2.034400      0.1744000    
 C   -1.530400      -1.288700      0.1202000    
 C   -3.970800      0.3802000     -4.0000002E-03
 C    2.540300      -2.620900      -1.095600    
 C   -4.965200       1.510000     -9.9500000E-02
 H    3.421600       1.031500      -1.778200    
 H    1.726400       1.388800      -2.067400    
 H    3.449300     -0.4658000       1.133000    
 H    4.066400       1.101100      0.7109000    
 H  -0.1942000       1.821000     -0.2068000    
 H    1.890900       3.302200     -0.3908000    
 H    3.632800       3.010600     -0.2814000    
 H    2.919400       3.489500      -1.818600    
 H    2.203000       2.178800       2.062900    
 H    1.688600      0.5621000       2.572800    
 H    3.290400       1.156100       3.014800    
 H  -0.4047000      -3.114400      0.2836000    
 H   -2.448200      -1.855300      0.1924000    
 H   -2.524000       1.848100     -0.1756000    
 H    2.773600      -1.790200      -1.768800    
 H    1.825400      -3.299700      -1.571200    
 H    3.461800      -3.172300     -0.8897000    
 H   -4.826900       2.195700      0.7410000    
 H   -5.983200       1.111500     -6.9700003E-02
 H   -4.823900       2.050500      -1.039600    


%chk=000088058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088058

0 1
O 2.039779 -2.227432 0.503230
O -4.410727 -0.590973 0.328764
N 2.232731 0.559963 -0.393847
N -2.659013 0.844900 -0.302107
C 0.985303 -0.047614 -0.121137
C 2.298008 1.755215 -1.260882
C 3.389853 0.355261 0.523421
C 0.886668 -1.403628 0.347232
C -0.244652 0.641030 -0.327518
C -1.501412 0.044854 -0.050567
C 2.207385 3.128228 -0.543594
C 3.115491 0.758012 1.990652
C -0.362066 -1.969330 0.660433
C -1.572273 -1.269588 0.475168
C -4.003419 0.524527 -0.112679
C 2.565361 -2.725963 -0.784944
C -4.979794 1.642397 -0.482912
H 3.258217 1.715194 -1.813504
H 1.500252 1.672641 -2.021532
H 3.696732 -0.703622 0.511831
H 4.225410 0.954249 0.115539
H -0.223300 1.680559 -0.674516
H 1.277325 3.226402 0.043657
H 3.057489 3.271430 0.146889
H 2.237651 3.946677 -1.287526
H 2.825975 1.820091 2.078976
H 2.303636 0.140615 2.413002
H 4.020626 0.589575 2.603673
H -0.369361 -2.999777 1.031789
H -2.539227 -1.716440 0.706067
H -2.469307 1.779821 -0.668826
H 2.855569 -1.886652 -1.446865
H 1.806226 -3.350865 -1.293661
H 3.446861 -3.336940 -0.534278
H -5.575778 1.905546 0.408043
H -5.682569 1.264794 -1.245519
H -4.495152 2.556944 -0.868152


