%chk=000041524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041524

0 1
 O    3.494900      -2.001700      0.1353000    
 O    1.602200       2.402300     -8.9000002E-02
 O    4.937100      0.2187000     -7.1199998E-02
 N   -4.113600      0.7656000      0.1539000    
 N   -3.837700      -1.091800      -1.356500    
 N   -2.657000       1.025100       2.007300    
 N   -5.541900      0.4869000      -1.686700    
 C   0.1199000     -0.8015000      0.8505000    
 C   -1.194500      -1.343200       1.300500    
 C    2.579800      0.2130000      1.1800000E-02
 C    1.211400      -1.656400      0.6976000    
 C   0.2583000      0.5606000      0.5840000    
 C   -2.377200     -0.8256000      0.5067000    
 C    2.441300      -1.149200      0.2782000    
 C    1.488200       1.068000      0.1646000    
 C   -3.060000      0.3018000      0.8577000    
 C    3.865600      0.7436000     -0.4269000    
 C   -2.792500      -1.498500     -0.6063000    
 C    3.918900       1.962900      -1.337600    
 C   -4.443600      3.1099999E-02 -0.9256000    
 C    3.666900      -2.610000      -1.142800    
 C   0.4335000       3.198400      9.4599999E-02
 H   -1.194300      -2.439200       1.210500    
 H   -1.315100      -1.170100       2.375500    
 H    1.112200      -2.719000      0.9059000    
 H  -0.5929000       1.205300      0.7157000    
 H   -2.304200      -2.401800     -0.9557000    
 H    3.966400       2.878400     -0.7436000    
 H    3.078100       1.977200      -2.036000    
 H    4.826800       1.896900      -1.947000    
 H   -3.183500       1.868400       2.203700    
 H   -2.298400      0.5211000       2.807100    
 H    4.578900      -3.212400      -1.115300    
 H    3.771600      -1.853100      -1.926600    
 H    2.820800      -3.266900      -1.368100    
 H   0.1073000       3.205600       1.140400    
 H  -0.3670000       2.910500     -0.5957000    
 H   0.7069000       4.229100     -0.1553000    
 H   -6.028800       1.326100      -1.403400    
 H   -5.827500     -3.0500000E-02  -2.506500    


%chk=000041524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041524

0 1
O 3.151054 -1.889772 1.061234
O 1.537244 2.052724 -1.416822
O 4.208382 1.006978 1.240559
N -3.972596 0.496156 1.501615
N -4.881915 0.009942 -0.723250
N -1.907024 -0.326966 2.202374
N -6.056876 1.320222 0.826443
C -0.144774 -1.101810 -0.297577
C -1.507274 -1.797427 -0.371311
C 2.422892 0.207218 -0.156991
C 0.932754 -1.710288 0.365783
C 0.049042 0.154627 -0.925743
C -2.699096 -0.910323 -0.057445
C 2.208130 -1.084028 0.425703
C 1.305608 0.785686 -0.859335
C -2.859495 -0.243745 1.209048
C 3.664668 1.018819 0.092760
C -3.757044 -0.726070 -0.968137
C 4.282630 1.851663 -1.023305
C -4.932062 0.583179 0.527689
C 4.598629 -1.754129 0.854048
C 0.413487 2.736966 -2.066560
H -1.644147 -2.203927 -1.393836
H -1.491598 -2.675007 0.307003
H 0.836731 -2.702264 0.819110
H -0.798134 0.628769 -1.428256
H -3.711941 -1.201545 -1.957248
H 3.891136 2.883227 -0.969781
H 4.041443 1.463292 -2.025212
H 5.374602 1.888747 -0.866954
H -2.081796 0.181881 3.067129
H -0.982863 -0.714107 2.020695
H 5.003691 -2.754123 1.074332
H 5.016660 -0.994703 1.534120
H 4.825903 -1.475637 -0.193222
H -0.414114 2.910319 -1.353231
H 0.042942 2.163093 -2.937048
H 0.824895 3.699780 -2.403121
H -6.140626 1.753397 1.741276
H -6.791847 1.394889 0.129164


