%chk=000124472.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124472

0 1
 O   0.7654000       1.757700      -1.245400    
 O  -0.1471000      -1.030600       1.914900    
 O   -6.490100     -0.9589000     -0.2239000    
 O   -4.669100      -2.047000      -1.036200    
 O    5.498700     -0.7700000     -0.8130000    
 N  -0.5949000      0.7128000      0.4168000    
 C   -2.006500      0.8162000      0.7710000    
 C   -2.368400       2.231200      0.3498000    
 C   -1.511500       2.469600     -0.8819000    
 C   -2.849900     -0.2345000      4.7899999E-02
 C  -0.2763000       1.640900     -0.6161000    
 C   -4.337600     -8.2099997E-02  0.3275000    
 C   0.2142000     -0.2660000       1.022200    
 C    1.597200     -0.3976000      0.5407000    
 C   -5.155000      -1.127200     -0.3902000    
 C    2.611500      0.3487000       1.135800    
 C    1.887200      -1.267800     -0.5073000    
 C    3.923800      0.2239000      0.6799000    
 C    3.199600      -1.392700     -0.9629000    
 C    4.217900     -0.6468000     -0.3694000    
 C    6.491000      2.0500001E-02 -0.1602000    
 H   -2.121800      0.6905000       1.854200    
 H   -2.043100       2.926100       1.136500    
 H   -3.422900       2.441100      0.1719000    
 H   -1.252400       3.524900     -0.9975000    
 H   -1.996100       2.101900      -1.791400    
 H   -2.672800     -0.1911000      -1.035000    
 H   -2.520900      -1.235800      0.3557000    
 H   -4.530600     -0.1771000       1.401500    
 H   -4.714100      0.8832000     -1.9700000E-02
 H    2.391200       1.029700       1.953700    
 H    1.100600      -1.852800     -0.9765000    
 H    4.665600      0.8326000       1.185700    
 H    3.422600      -2.072600      -1.780600    
 H   -7.007100      -1.652700     -0.6861000    
 H    6.590900     -0.2510000      0.8962000    
 H    6.307000       1.091400     -0.2980000    
 H    7.449600     -0.2034000     -0.6397000    


%chk=000124472-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124472

0 1
O 0.651603 2.550712 -1.377877
O -0.148342 0.194092 2.096080
O -5.935639 -2.044008 0.802944
O -4.477728 -2.323839 -0.981970
O 5.475053 -0.913050 -0.803565
N -0.704566 1.233298 0.098142
C -2.157071 1.150132 0.473032
C -2.780197 2.406273 -0.202142
C -1.826928 2.734355 -1.371467
C -2.753800 -0.194206 -0.009778
C -0.462802 2.196000 -0.926066
C -4.134301 -0.459926 0.619055
C 0.238781 0.556073 0.941232
C 1.606698 0.249001 0.448199
C -4.813231 -1.686350 0.039547
C 2.624578 0.075857 1.421313
C 1.918244 0.006436 -0.919051
C 3.931031 -0.296214 1.054560
C 3.207690 -0.390382 -1.296958
C 4.223153 -0.531758 -0.314799
C 6.569661 -1.070982 0.160401
H -2.220800 1.196795 1.573894
H -2.803574 3.247528 0.512640
H -3.814741 2.218597 -0.535217
H -1.744327 3.807699 -1.603192
H -2.114110 2.216125 -2.306460
H -2.833164 -0.207460 -1.112880
H -2.067841 -1.013600 0.270829
H -4.058281 -0.589112 1.714729
H -4.822697 0.395561 0.462943
H 2.370464 0.233472 2.474519
H 1.151156 0.119171 -1.688616
H 4.699108 -0.404077 1.825612
H 3.459549 -0.589133 -2.342421
H -6.370195 -2.840801 0.392769
H 6.342251 -1.863848 0.898497
H 6.780253 -0.119786 0.685663
H 7.440862 -1.363444 -0.443241


