%chk=000064086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064086

0 1
 O  -0.8007000       2.194900     -0.7503000    
 O    5.173800      0.9856000     -2.5100000E-02
 N  -0.3241000      3.7200000E-02  6.5899998E-02
 N   -2.131900      -1.391800      0.6577000    
 C  -0.8608000      -1.169300      0.5217000    
 C   5.0200000E-02  -2.338700      0.8348000    
 C    1.091800      0.2829000      4.1800000E-02
 C   -1.164500       1.090800     -0.3523000    
 C   -2.614900      0.8341000     -0.2287000    
 C   0.2958000      -3.165800     -0.4143000    
 C   -3.035800     -0.3884000      0.2947000    
 C    1.715900      0.8095000       1.165700    
 C    1.819900     -1.0600000E-02  -1.104300    
 C    3.090300       1.046500       1.143000    
 C    3.194300      0.2264000      -1.127100    
 C    3.829500      0.7550000     -3.4000000E-03
 C   -3.546500       1.808800     -0.6055000    
 C    1.154000      -4.395300     -0.1512000    
 C   -4.407500     -0.6279000      0.4379000    
 C    3.752700       1.611600       2.356000    
 C    3.969100     -9.3199998E-02  -2.362800    
 C   -4.909800       1.557300     -0.4583000    
 C   -5.340700      0.3402000      6.4099997E-02
 H  -0.4340000      -2.959300       1.599300    
 H   0.9978000      -2.000200       1.262200    
 H   0.7723000      -2.567100      -1.195000    
 H  -0.6646000      -3.493600     -0.8319000    
 H    1.132800       1.033200       2.055700    
 H    1.317400     -0.4097000      -1.981900    
 H   -3.231400       2.766000      -1.011400    
 H   0.6806000      -5.052300      0.5853000    
 H    2.140300      -4.107900      0.2267000    
 H    1.295300      -4.964800      -1.075000    
 H   -4.758400      -1.575600      0.8397000    
 H    4.216000       2.577400       2.128800    
 H    3.034500       1.783000       3.165600    
 H    4.509900      0.9201000       2.740500    
 H    4.443700      0.8107000      -2.758700    
 H    4.740900     -0.8390000      -2.145500    
 H    3.329800     -0.5024000      -3.152500    
 H   -5.635600       2.310900     -0.7494000    
 H   -6.402500      0.1434000      0.1791000    
 H    5.483300       1.352200      0.8173000    


%chk=000064086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064086

0 1
O -0.696112 2.249460 -0.641155
O 5.205773 0.970980 -0.157326
N -0.373198 0.036418 0.100118
N -2.218476 -1.438431 0.586070
C -0.914235 -1.203947 0.514930
C 0.027150 -2.339495 0.860767
C 1.067445 0.262403 0.055854
C -1.208654 1.150988 -0.283260
C -2.654366 0.873106 -0.208136
C 0.323843 -3.257583 -0.360307
C -3.109540 -0.412927 0.225674
C 1.730166 0.750184 1.199802
C 1.778907 0.036047 -1.140905
C 3.120356 0.999354 1.171952
C 3.168815 0.273367 -1.212175
C 3.818707 0.749509 -0.042069
C -3.588946 1.881749 -0.561415
C 1.197524 -4.465412 0.037410
C -4.508643 -0.663779 0.298580
C 3.855516 1.532163 2.389138
C 3.959658 0.050696 -2.482923
C -4.966426 1.619537 -0.485800
C -5.423837 0.341337 -0.053732
H -0.475642 -2.941981 1.637178
H 0.977927 -1.960736 1.273379
H 0.833715 -2.672011 -1.148956
H -0.638764 -3.604936 -0.780852
H 1.157997 0.950891 2.112162
H 1.242404 -0.304087 -2.033247
H -3.202518 2.852691 -0.888377
H 0.696799 -5.079481 0.809126
H 2.171373 -4.136096 0.445830
H 1.398625 -5.114943 -0.833798
H -4.836556 -1.652587 0.633258
H 4.316362 2.522408 2.196551
H 3.162375 1.664821 3.235577
H 4.655527 0.845130 2.732961
H 4.435469 0.989534 -2.820740
H 4.780937 -0.671240 -2.321041
H 3.312532 -0.325111 -3.292977
H -5.690102 2.395133 -0.757939
H -6.499680 0.141413 0.003753
H 5.577996 1.330267 0.685960


