%chk=000031796.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031796

0 1
 O   -4.803700       1.463700      -1.302700    
 O  -0.5029000      0.9805000      0.1999000    
 O    6.458000     -0.1888000     -0.2475000    
 O   -2.239200       1.622700       1.581900    
 N    3.661300      0.3380000     -0.3011000    
 C   -2.588900     -5.9200000E-02 -0.1273000    
 C   -4.043100     -9.0200000E-02  0.4106000    
 C   -2.629500      0.4311000      -1.597900    
 C   -1.914700      -1.428300      5.9599999E-02
 C   -4.822600       1.184300      9.2799999E-02
 C   -3.480300       1.685400      -1.779000    
 C   -1.783700      0.9504000      0.6667000    
 C   0.3722000       1.897500      0.8643000    
 C    1.767300       1.804800      0.2380000    
 C    2.340000      0.3876000      0.3213000    
 C    4.598800       1.231900      0.3928000    
 C    4.184900      -1.035200     -0.3053000    
 C   -1.792600      -1.971400       1.335900    
 C   -1.430000      -2.118700      -1.048200    
 C    5.972600       1.154000     -0.2669000    
 C    5.569000      -1.060100     -0.9476000    
 C  -0.1987000       3.303100      0.7337000    
 C   -1.181200      -3.213700       1.505700    
 C  -0.8187000      -3.361000     -0.8784000    
 C  -0.6943000      -3.908400      0.3986000    
 H   -4.567200     -0.9344000     -5.8899999E-02
 H   -4.077300     -0.2627000       1.493100    
 H   -1.628500      0.6166000      -2.005400    
 H   -3.099800     -0.3431000      -2.219500    
 H   -4.457400       2.056700      0.6436000    
 H   -5.869600       1.046500      0.3833000    
 H   -3.043700       2.552800      -1.271000    
 H   -3.549000       1.932700      -2.843400    
 H   0.4440000       1.619200       1.923700    
 H    1.714900       2.106500     -0.8163000    
 H    2.390400       2.531200      0.7667000    
 H    2.379500      6.0600001E-02   1.368500    
 H    1.669500     -0.3001000     -0.2084000    
 H    4.682800      0.9552000       1.451700    
 H    4.301900       2.281400      0.3300000    
 H    3.518600      -1.695300     -0.8722000    
 H    4.252300      -1.419600      0.7209000    
 H   -2.159200      -1.445500       2.212800    
 H   -1.488000      -1.737700      -2.061000    
 H    6.687500       1.772900      0.2851000    
 H    5.947400       1.519200      -1.301000    
 H    5.529700     -0.7706000      -2.004900    
 H    5.985300      -2.071200     -0.8965000    
 H   -1.004400       3.509300       1.442100    
 H   0.5715000       4.054700      0.9409000    
 H  -0.5894000       3.484200     -0.2738000    
 H   -1.082700      -3.639300       2.500000    
 H  -0.4363000      -3.901300      -1.739500    
 H  -0.2170000      -4.875000      0.5309000    


%chk=000031796-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031796

0 1
O -4.931762 1.301393 -1.150748
O -0.658250 1.525034 0.002390
O 6.070742 -0.835728 -0.258662
O -1.999692 1.232539 1.882937
N 3.401192 0.312941 -0.087258
C -2.468767 -0.084476 -0.185971
C -3.887307 -0.344940 0.413283
C -2.648206 0.433247 -1.641284
C -1.603660 -1.369823 -0.096735
C -4.812993 0.877044 0.255412
C -3.607507 1.636820 -1.694845
C -1.729954 0.963151 0.687540
C 0.272373 2.436771 0.769360
C 1.679135 2.128925 0.235280
C 2.116817 0.684203 0.551890
C 4.577558 1.002406 0.502170
C 3.616681 -1.158876 -0.074994
C -1.377023 -1.965915 1.173764
C -1.018999 -1.974176 -1.237500
C 5.852982 0.619854 -0.267563
C 4.898803 -1.510079 -0.844584
C -0.184966 3.883104 0.551143
C -0.596599 -3.134508 1.298215
C -0.239827 -3.148263 -1.115200
C -0.025063 -3.734808 0.151795
H -4.325428 -1.211047 -0.117082
H -3.812172 -0.599936 1.484969
H -1.674640 0.717826 -2.077785
H -3.083083 -0.381564 -2.250781
H -4.440618 1.722839 0.872042
H -5.841518 0.633094 0.568352
H -3.179207 2.501958 -1.139305
H -3.793405 1.945831 -2.736817
H 0.178143 2.161964 1.837775
H 1.703842 2.280544 -0.859933
H 2.373533 2.863618 0.687790
H 2.151978 0.542565 1.664865
H 1.342239 -0.001987 0.162873
H 4.705759 0.735072 1.582953
H 4.437528 2.097095 0.436531
H 2.748222 -1.651259 -0.552361
H 3.701632 -1.552837 0.969825
H -1.802036 -1.505280 2.073498
H -1.162520 -1.535284 -2.229101
H 6.748845 1.054303 0.206486
H 5.772038 0.979647 -1.316247
H 4.788390 -1.208820 -1.908838
H 5.119012 -2.588845 -0.783910
H -1.209122 4.032079 0.933816
H 0.485220 4.576745 1.091273
H -0.162555 4.144514 -0.521597
H -0.433917 -3.575806 2.287973
H 0.196684 -3.603655 -2.011581
H 0.577249 -4.645314 0.245879


