%chk=000005162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005162

0 1
 O    6.054200     -0.3756000     -0.2334000    
 N  -2.6200000E-02   1.586400      0.4434000    
 N  -0.3989000     -0.5370000     -8.9400001E-02
 N   -5.370200      -1.750000     -0.2513000    
 C   -1.383900       1.433000      0.4458000    
 C   -1.589600      0.1144000      0.1138000    
 C   0.5230000      0.3776000      0.1164000    
 C   -2.297900       2.544700      0.7583000    
 C    1.949300      0.1835000      2.5699999E-02
 C   -2.868400     -0.5156000     -9.3999999E-03
 C   -2.709000       3.346300     -0.4840000    
 C    2.503200      -1.063400      0.3161000    
 C    2.775000       1.242500     -0.3517000    
 C   -3.531500     -0.5262000      -1.234400    
 C   -3.461300      -1.124600       1.094100    
 C    3.882600      -1.251200      0.2294000    
 C    4.154400       1.054600     -0.4387000    
 C    4.708300     -0.1921000     -0.1480000    
 C   -4.766900      -1.150000      -1.301900    
 C   -4.699900      -1.721600      0.9225000    
 C    6.553400      -1.675800      7.6600000E-02
 H   -3.202000       2.163100       1.247300    
 H   -1.827800       3.226900       1.477400    
 H   0.4720000       2.440200      0.6588000    
 H   -1.833300       3.780300     -0.9782000    
 H   -3.382300       4.161300     -0.2009000    
 H   -3.226500       2.711000      -1.210100    
 H    1.877100      -1.900800      0.6150000    
 H    2.374800       2.223000     -0.5974000    
 H   -3.105000     -6.3699998E-02  -2.119000    
 H   -2.978900      -1.139300       2.066400    
 H    4.246200      -2.244500      0.4694000    
 H    4.792500       1.882300     -0.7361000    
 H   -5.321500      -1.184200      -2.233800    
 H   -5.201500      -2.208500       1.752300    
 H    6.178100      -2.428700     -0.6247000    
 H    6.355200      -1.944700       1.119700    
 H    7.641300      -1.641400     -4.3400001E-02


%chk=000005162-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005162

0 1
O 6.049131 -0.319850 -0.337821
N -0.222124 1.690010 0.215400
N -0.533624 -0.520492 -0.036277
N -5.366605 -2.361346 -0.037740
C -1.606667 1.505287 0.260417
C -1.786841 0.111083 0.100348
C 0.402510 0.449968 0.035303
C -2.565472 2.657629 0.445168
C 1.852323 0.256789 -0.058980
C -3.019603 -0.688790 0.060681
C -1.891864 4.041903 0.579129
C 2.363980 -1.056005 -0.231319
C 2.779372 1.336291 0.014484
C -2.928972 -2.098990 -0.120902
C -4.330254 -0.147630 0.191518
C 3.748182 -1.295796 -0.328544
C 4.161951 1.111366 -0.081193
C 4.654827 -0.206993 -0.253805
C -4.102069 -2.875843 -0.162669
C -5.447460 -1.008369 0.137043
C 6.611451 -1.660939 -0.522180
H -3.270586 2.683095 -0.409398
H -3.185487 2.473043 1.344911
H 0.243324 2.591213 0.304065
H -1.223726 4.088725 1.459750
H -2.657490 4.826041 0.709395
H -1.308269 4.302651 -0.323945
H 1.650530 -1.884006 -0.287155
H 2.433988 2.369466 0.146255
H -1.941692 -2.556139 -0.226386
H -4.500517 0.921894 0.333734
H 4.106309 -2.321036 -0.460135
H 4.879467 1.935399 -0.025998
H -4.045915 -3.961625 -0.302335
H -6.461702 -0.603085 0.235893
H 6.258208 -2.118448 -1.466560
H 6.359492 -2.322855 0.328920
H 7.699995 -1.511416 -0.566473


