%chk=000045327.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045327

0 1
 O   -2.751200      0.6843000      -1.094800    
 O    2.515700      0.6085000     -0.6284000    
 N  -0.5702000       2.691900       2.165200    
 C  -0.1994000       1.819700     -0.1590000    
 C   -1.370900       2.615400     -0.7784000    
 C    1.122600       2.573300     -0.4511000    
 C  -0.3958000       1.502600       1.338900    
 C   -2.741800       1.993800     -0.5395000    
 C    2.388100       1.864100      2.1800000E-02
 C   -3.573600     -0.2337000     -0.4964000    
 C    3.613100     -0.1480000     -0.3055000    
 C   -3.245200      -1.585500     -0.5025000    
 C    3.458200      -1.414500      0.2470000    
 C   -4.741700      0.2071000      0.1174000    
 C    4.881300      0.3725000     -0.5399000    
 C   -4.094000      -2.506400      0.1119000    
 C    4.585500      -2.170200      0.5690000    
 C   -1.994300      -2.070200      -1.158000    
 C    2.101200      -1.982400      0.5026000    
 C   -5.590300     -0.7138000      0.7319000    
 C    6.008500     -0.3835000     -0.2179000    
 C   -5.266500      -2.070400      0.7291000    
 C    5.860600      -1.654600      0.3364000    
 H  -0.1443000      0.8542000     -0.6799000    
 H   -1.375200       3.646300     -0.4047000    
 H   -1.203000       2.675600      -1.861900    
 H    1.198500       2.711400      -1.538000    
 H    1.090600       3.576100     -8.9999996E-03
 H   0.4499000      0.9259000       1.725300    
 H   -1.266000      0.8525000       1.476500    
 H   -2.961100       2.004900      0.5341000    
 H   -3.499100       2.597800      -1.053400    
 H    2.389400       1.730500       1.108900    
 H    3.238200       2.508200     -0.2317000    
 H   0.2376000       3.304800       2.069000    
 H   -1.375000       3.228200       1.846900    
 H   -5.050500       1.247900      0.1152000    
 H    5.017500       1.351800     -0.9888000    
 H   -3.856500      -3.566900      0.1188000    
 H    4.487900      -3.162400       1.001700    
 H   -1.903500      -3.160700      -1.112200    
 H   -1.981600      -1.783700      -2.214800    
 H   -1.117500      -1.643700     -0.6601000    
 H    1.569200      -1.376200       1.242900    
 H    1.518900      -2.009300     -0.4244000    
 H    2.151600      -3.006700      0.8871000    
 H   -6.507300     -0.3759000       1.205900    
 H    7.001500      1.5900001E-02 -0.4031000    
 H   -5.928300      -2.787500       1.206100    
 H    6.738500      -2.243500      0.5860000    


%chk=000045327-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045327

0 1
O -2.541126 0.350946 -0.438073
O 2.474608 0.565305 -0.442360
N -0.170947 3.820815 1.871670
C -0.098913 1.999966 0.026000
C -1.385152 2.457990 -0.709861
C 1.142629 2.564679 -0.712473
C -0.113852 2.385296 1.541777
C -2.679204 1.801395 -0.218527
C 2.488638 2.022060 -0.221431
C -3.617316 -0.480627 -0.074189
C 3.615502 -0.173104 -0.075126
C -3.402823 -1.873414 -0.299430
C 3.519431 -1.578444 -0.303806
C -4.833136 -0.004427 0.472244
C 4.784102 0.402455 0.478600
C -4.445868 -2.762941 0.040873
C 4.631269 -2.378316 0.041268
C -2.091016 -2.355784 -0.883940
C 2.256039 -2.166188 -0.898254
C -5.857420 -0.922550 0.802104
C 5.879789 -0.427464 0.812827
C -5.669161 -2.303587 0.587988
C 5.808721 -1.819024 0.595961
H -0.052642 0.895184 -0.028375
H -1.502802 3.559127 -0.615791
H -1.282105 2.242675 -1.791241
H 1.057388 2.338678 -1.793153
H 1.165242 3.671956 -0.620761
H 0.781977 1.959373 2.031410
H -0.973273 1.889832 2.031396
H -2.860490 1.994982 0.859136
H -3.549720 2.181157 -0.792711
H 2.652330 2.229919 0.856391
H 3.323837 2.474852 -0.795153
H 0.659744 4.368796 1.639266
H -1.043304 4.300812 1.641596
H -4.993307 1.064051 0.643300
H 4.853419 1.480283 0.652056
H -4.294387 -3.836164 -0.126743
H 4.571064 -3.460176 -0.128478
H -2.089729 -3.453142 -0.999354
H -1.900443 -1.896535 -1.871454
H -1.237290 -2.069555 -0.241222
H 1.373740 -1.931782 -0.273690
H 2.048185 -1.738760 -1.896664
H 2.337270 -3.262381 -0.994563
H -6.797714 -0.551548 1.225179
H 6.783452 0.020024 1.241685
H -6.460130 -3.017022 0.842287
H 6.655191 -2.464177 0.854009


