%chk=000048053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048053

1 1
 S    3.230100      0.2135000      9.7900003E-02
 N   -3.579500     -0.1958000     -0.1467000    
 N   0.1337000      6.3999998E-03  0.3977000    
 N  -0.1997000       2.378900      0.1253000    
 C   -2.146000     -8.4100001E-02 -0.5142000    
 C   -1.293400     -5.0700001E-02  0.7419000    
 C   -4.013100      0.9910000      0.7248000    
 C   -4.463700     -0.2147000      -1.401300    
 C   -3.841400      -1.486800      0.6411000    
 C   0.8180000      -1.214800      0.1834000    
 C   0.6513000       1.313200      0.1794000    
 C    2.216800      -1.247800      2.1500001E-02
 C    2.026500       1.513400      7.1999999E-03
 C   0.1388000      -2.450900      9.8899998E-02
 C    2.890300      -2.465000     -0.1917000    
 C    2.504800       2.813100     -0.2180000    
 C   0.8122000      -3.657000     -0.1169000    
 C    2.190300      -3.664500     -0.2596000    
 C   0.2937000       3.616900     -9.6199997E-02
 C    1.630300       3.885800     -0.2745000    
 H   -1.899500     -0.9286000      -1.167100    
 H   -2.023500      0.8290000      -1.108800    
 H   -1.534800      0.8141000       1.370400    
 H   -1.463700     -0.8944000       1.416400    
 H   -3.691600       1.915100      0.2358000    
 H   -5.104500      0.9694000      0.8081000    
 H   -3.584100      0.8968000       1.725200    
 H   -4.297100      0.7179000      -1.948300    
 H   -4.171800      -1.075800      -2.009700    
 H   -5.510400     -0.2983000      -1.094300    
 H   -3.422900      -1.408100       1.646600    
 H   -4.925500      -1.616300      0.7252000    
 H   -3.408500      -2.324500      8.7499999E-02
 H  -0.9393000      -2.526500      0.1953000    
 H    3.972000      -2.490700     -0.3087000    
 H    3.568200       3.001900     -0.3500000    
 H   0.2535000      -4.586900     -0.1731000    
 H    2.719200      -4.597800     -0.4260000    
 H  -0.4458000       4.409800     -0.1261000    
 H    1.986400       4.894100     -0.4486000    


%chk=000048053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048053

1 1
S 3.259870 0.301040 0.552771
N -3.662679 -0.057848 -0.069613
N 0.155284 -0.199520 0.486151
N -0.422100 2.055977 0.031876
C -2.176561 -0.371654 -0.368726
C -1.251275 -0.374176 0.879002
C -3.791170 1.287877 0.658499
C -4.393348 0.039607 -1.409880
C -4.294176 -1.165977 0.767646
C 0.965862 -1.351385 0.194393
C 0.570233 1.129757 0.196284
C 2.383238 -1.256813 0.131807
C 1.946816 1.482223 0.099994
C 0.375899 -2.622109 -0.037543
C 3.172399 -2.383690 -0.171863
C 2.284028 2.806046 -0.234879
C 1.169053 -3.759635 -0.303739
C 2.571794 -3.645378 -0.379436
C -0.074822 3.353481 -0.238983
C 1.257707 3.768439 -0.402744
H -2.159754 -1.337784 -0.901035
H -1.830562 0.431175 -1.038442
H -1.509530 0.479123 1.526081
H -1.341084 -1.305342 1.462329
H -3.044718 1.981236 0.240428
H -4.816029 1.664533 0.520779
H -3.594569 1.146896 1.730869
H -3.991824 0.896718 -1.971138
H -4.230487 -0.887983 -1.979633
H -5.469450 0.182644 -1.225861
H -3.737770 -1.272269 1.710012
H -5.339851 -0.899308 0.986231
H -4.259577 -2.109855 0.201871
H -0.710707 -2.746393 -0.006962
H 4.260542 -2.276354 -0.229219
H 3.336061 3.091513 -0.333048
H 0.685096 -4.728807 -0.461036
H 3.193711 -4.518755 -0.595125
H -0.902658 4.064586 -0.327218
H 1.493407 4.808464 -0.641097


