%chk=000042616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042616

0 1
 O   -1.485000       2.206200      0.1114000    
 O    1.484500      -2.206300     -0.1146000    
 O   -4.952300      0.1302000      0.4066000    
 O    4.952300     -0.1306000     -0.4066000    
 O   -3.571600      0.7722000      -1.312000    
 O    3.571700     -0.7718000       1.312400    
 N    1.106800       2.513900     -0.5126000    
 N   -1.106800      -2.513900      0.5131000    
 N   -2.742300     -0.1669000      0.6458000    
 N    2.742400      0.1668000     -0.6456000    
 C    2.318800       2.926000      0.1874000    
 C   0.9891000       3.482400      0.5724000    
 C   -2.318700      -2.926000     -0.1868000    
 C  -0.9890000      -3.482400     -0.5718000    
 C   0.6443000       1.244700     -0.2759000    
 C  -0.6442000      -1.244600      0.2763000    
 C   -1.411600     -0.1461000      0.3390000    
 C    1.411600      0.1462000     -0.3386000    
 C  -0.8014000       1.185300      6.1400000E-02
 C   0.8013000      -1.185300     -6.1600000E-02
 C   -3.735200      0.2913000     -0.1949000    
 C    3.735300     -0.2915000      0.1951000    
 C   -6.086400      0.5647000     -0.3521000    
 C    6.086500     -0.5644000      0.3524000    
 C   -7.343500      0.3164000      0.4539000    
 C    7.343500     -0.3165000     -0.4540000    
 H    2.774000       2.264200      0.9091000    
 H    2.975000       3.532100     -0.4193000    
 H   0.7252000       4.472100      0.2304000    
 H   0.5551000       3.143600       1.502700    
 H   -2.974900      -3.531900      0.4199000    
 H   -2.773900      -2.264300     -0.9087000    
 H  -0.5554000      -3.143700      -1.502300    
 H  -0.7254000      -4.472100     -0.2299000    
 H   -3.044600     -0.8274000       1.357400    
 H    3.044700      0.8273000      -1.357300    
 H   -6.132600      3.8999999E-03  -1.292300    
 H   -5.991400       1.634300     -0.5700000    
 H    6.132700     -3.0000000E-03   1.292200    
 H    5.991700      -1.633900      0.5710000    
 H   -8.231600      0.6376000     -9.7499996E-02
 H   -7.303800      0.8562000       1.405900    
 H   -7.442600     -0.7470000      0.6955000    
 H    8.231700     -0.6371000      9.7599998E-02
 H    7.442300      0.7468000     -0.6962000    
 H    7.303700     -0.8568000      -1.405500    


%chk=000042616-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042616

0 1
O -1.258784 2.137886 1.155412
O 1.259579 -2.140856 -1.154763
O -5.044223 0.206821 0.439974
O 5.045418 -0.207859 -0.436370
O -3.808368 -0.632546 -1.380879
O 3.808918 0.640542 1.379873
N 1.302665 2.460393 0.273646
N -1.303341 -2.462464 -0.276708
N -2.805628 -0.048979 0.687393
N 2.806568 0.044215 -0.684975
C 2.515107 3.244386 0.539039
C 1.125900 3.678527 1.057196
C -2.517227 -3.242742 -0.546581
C -1.128226 -3.678480 -1.063981
C 0.777970 1.217943 0.193901
C -0.777522 -1.220588 -0.194380
C -1.427669 -0.084712 0.304139
C 1.428508 0.081354 -0.302601
C -0.695694 1.136335 0.579693
C 0.696240 -1.139278 -0.579063
C -3.859081 -0.194559 -0.201172
C 3.859902 0.196079 0.202595
C -6.280571 0.103068 -0.384608
C 6.281623 -0.098545 0.387684
C -7.415827 0.675006 0.458799
C 7.417089 -0.675868 -0.451757
H 3.228458 2.812121 1.246413
H 2.943341 3.765379 -0.325273
H 0.594740 4.500480 0.565529
H 0.902294 3.556671 2.121559
H -2.948179 -3.765495 0.315288
H -3.228343 -2.806433 -1.253774
H -0.902649 -3.553807 -2.127602
H -0.599773 -4.503198 -0.574040
H -3.010118 0.534983 1.506380
H 3.011050 -0.545086 -1.500220
H -6.443500 -0.959857 -0.642321
H -6.126802 0.665218 -1.323300
H 6.444368 0.966069 0.638456
H 6.127830 -0.654551 1.330036
H -8.364895 0.620494 -0.105135
H -7.221846 1.730868 0.713266
H -7.535345 0.107031 1.397303
H 8.365999 -0.617792 0.112085
H 7.536914 -0.113945 -1.393859
H 7.223126 -1.733332 -0.699500


