%chk=000044442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044442

0 1
 O   0.6910000       1.235500     -0.8183000    
 O   -2.357900       2.572500      0.6517000    
 N   -2.269600     -0.2828000      0.4214000    
 N   -2.892500      -2.351500       1.254300    
 N   -3.247800      -1.981900     -0.9665000    
 C   -1.553000       1.941500     -0.3447000    
 C  -0.1350000       1.795900      0.1978000    
 C   -2.182400      0.6078000     -0.7404000    
 C    1.731800      0.4497000     -0.4011000    
 C    2.334400      0.6989000      0.8273000    
 C    2.177200     -0.5903000      -1.210000    
 C    3.395200     -0.1014000       1.251900    
 C    3.237900      -1.390500     -0.7854000    
 C   -2.776000      -1.457300      0.2163000    
 C    3.846800      -1.146000      0.4455000    
 H   -1.534900       2.593800      -1.225900    
 H   0.2551000       2.782400      0.4770000    
 H  -0.1699000       1.182200       1.107900    
 H   -3.193700      0.8008000      -1.120500    
 H   -1.592500      0.1444000      -1.540100    
 H   -3.250000       2.683000      0.2808000    
 H    2.035400       1.520900       1.470500    
 H    1.705200     -0.7844000      -2.169000    
 H    3.874600      9.3199998E-02   2.206900    
 H    3.589800      -2.203900      -1.413200    
 H    4.673800      -1.768000      0.7753000    
 H   -2.586300      -2.109700       2.190500    
 H   -3.285500      -3.276100       1.116400    
 H   -3.624900      -2.922700      -1.007000    
 H   -3.239400      -1.456500      -1.833300    


%chk=000044442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044442

0 1
O 0.711618 0.713396 -0.760168
O -2.296730 2.401942 0.586420
N -2.923853 -0.123431 0.356340
N -4.335013 -1.674019 1.411879
N -3.643866 -2.125351 -0.787601
C -1.486605 1.672931 -0.387431
C -0.156775 1.293329 0.285245
C -2.274769 0.418966 -0.856002
C 1.993531 0.283570 -0.388036
C 2.508755 0.354894 0.931245
C 2.787159 -0.249080 -1.436072
C 3.818392 -0.113938 1.188541
C 4.089348 -0.711082 -1.162752
C -3.586383 -1.256686 0.306851
C 4.614965 -0.648066 0.151998
H -1.288440 2.348078 -1.237657
H 0.311170 2.200275 0.713313
H -0.338571 0.551716 1.089504
H -3.030046 0.725163 -1.611594
H -1.558281 -0.281066 -1.339149
H -2.812893 1.658813 1.037092
H 1.909246 0.766996 1.748093
H 2.366836 -0.285872 -2.446191
H 4.214227 -0.057048 2.209132
H 4.697518 -1.119556 -1.977892
H 5.628207 -1.006943 0.361079
H -4.349827 -1.033699 2.202884
H -4.463778 -2.666483 1.598262
H -4.384518 -2.817022 -0.870563
H -3.063722 -1.941228 -1.600671


