%chk=000044949.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044949

0 1
 O  -0.2613000      0.7903000      0.7129000    
 O  -0.5293000       2.218500      -1.089200    
 N  -0.4572000      -1.807500     -0.1004000    
 N   -2.343100       1.731600      0.2828000    
 C   0.4669000      -1.287200      -1.108600    
 C   0.2771000      -2.512000      0.9495000    
 C   -1.441600      -2.693700     -0.7196000    
 C    1.455500     -0.3286000     -0.5311000    
 C    1.082500      0.6654000      0.3456000    
 C  -0.6668000      -3.060100       2.006400    
 C   -2.255300      -1.960100      -1.772100    
 C    2.799700     -0.4384000     -0.8868000    
 C    1.984500       1.555800      0.8853000    
 C    3.736300      0.4490000     -0.3565000    
 C    3.328700       1.446100      0.5295000    
 C   -1.005900       1.633100     -0.1175000    
 C   -3.271100       2.567600     -0.4654000    
 C   -2.899500       1.030200       1.435200    
 H  -5.7399999E-02 -0.7202000      -1.885800    
 H   0.9824000      -2.115000      -1.614600    
 H   0.8765000      -3.335900      0.5406000    
 H   0.9680000      -1.844500       1.474700    
 H  -0.9751000      -3.582300      -1.163000    
 H   -2.173700      -3.038500      1.7600000E-02
 H   -1.389200      -2.306000       2.337600    
 H   -1.205900      -3.950500       1.668500    
 H  -9.0200000E-02  -3.364900       2.887300    
 H   -2.626700     -0.9983000      -1.402700    
 H   -1.694000      -1.794400      -2.696700    
 H   -3.129500      -2.562500      -2.044400    
 H    3.133800      -1.208800      -1.576700    
 H    1.667500       2.331300       1.575600    
 H    4.783000      0.3637000     -0.6337000    
 H    4.058000       2.137000      0.9424000    
 H   -4.084700       1.940400     -0.8413000    
 H   -2.781800       3.058800      -1.310100    
 H   -3.676100       3.331500      0.2048000    
 H   -3.699500      0.3699000       1.087400    
 H   -3.311800       1.769100       2.128500    
 H   -2.154100      0.4312000       1.961600    


%chk=000044949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044949

0 1
O -0.141082 1.137780 0.729277
O -0.857043 1.523609 -1.488029
N -0.465615 -1.782645 -0.258483
N -2.371551 1.500414 0.309072
C 0.559325 -1.190305 -1.164367
C 0.146547 -2.580034 0.841377
C -1.459356 -2.573297 -1.038648
C 1.554095 -0.258660 -0.485175
C 1.197545 0.842576 0.340722
C -0.806901 -2.792839 2.032077
C -2.461098 -1.708581 -1.827166
C 2.941552 -0.463830 -0.706135
C 2.172197 1.675208 0.930788
C 3.930000 0.366616 -0.135406
C 3.542869 1.441408 0.695923
C -1.125696 1.381119 -0.267018
C -3.508497 1.878658 -0.542200
C -2.653663 1.251491 1.729404
H 0.026874 -0.613515 -1.941608
H 1.142608 -1.993105 -1.686604
H 0.517306 -3.569980 0.467875
H 1.033175 -2.026696 1.198823
H -0.939563 -3.278922 -1.739135
H -2.024532 -3.199758 -0.325595
H -1.156394 -1.815335 2.408558
H -1.693976 -3.394178 1.762196
H -0.284234 -3.321113 2.851274
H -3.031410 -1.063722 -1.136433
H -1.963903 -1.052531 -2.562120
H -3.171707 -2.355801 -2.374782
H 3.244448 -1.305955 -1.340319
H 1.834503 2.503006 1.562140
H 4.989741 0.172149 -0.332356
H 4.295134 2.093357 1.152719
H -4.276800 1.080860 -0.544808
H -3.148655 2.034126 -1.570057
H -3.973718 2.812862 -0.172581
H -3.445857 0.483802 1.827302
H -3.001864 2.178270 2.226889
H -1.745203 0.894587 2.230210


