%chk=000049747.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049747

0 1
 N  -0.8326000     -0.8558000     -0.1580000    
 N   -1.215600       1.314700      0.1287000    
 N    1.871000     -0.5041000     -0.2213000    
 C  -0.2917000      0.3925000     -2.3600001E-02
 C   -2.196400     -0.7310000     -8.7899998E-02
 C   -2.410300      0.6330000      9.1300003E-02
 C    1.133700      0.6148000     -5.4000001E-02
 C    3.212000     -0.3364000     -0.2533000    
 C    4.035500      -1.567600     -0.4364000    
 C   -3.229800      -1.665400     -0.1635000    
 C    1.663900       1.885400      8.2400002E-02
 C   -3.726900       1.110800      0.2038000    
 C    3.843600      0.8903000     -0.1263000    
 C    3.047600       2.017600      4.4500001E-02
 C   -4.533900      -1.172300     -4.9899999E-02
 C   -4.780100      0.1907000      0.1306000    
 C    4.410100      -2.217200      0.8928000    
 H  -0.3222000      -1.719700     -0.2865000    
 H    3.473500      -2.290300      -1.040900    
 H    4.944400      -1.337100      -1.005100    
 H   -3.036100      -2.722800     -0.3036000    
 H    1.041900       2.764300      0.2160000    
 H   -3.928700       2.168000      0.3441000    
 H    4.924000      0.9834000     -0.1551000    
 H    3.504800       2.997000      0.1484000    
 H   -5.371200      -1.863900     -0.1031000    
 H   -5.804600      0.5438000      0.2157000    
 H    5.005300      -1.537300       1.511700    
 H    4.999100      -3.123100      0.7185000    
 H    3.516500      -2.495100       1.461900    


%chk=000049747-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049747

0 1
N -0.776911 -0.838130 -0.137610
N -1.242129 1.386788 0.125680
N 1.949935 -0.431197 -0.230679
C -0.270192 0.459311 -0.022897
C -2.168078 -0.757810 -0.059950
C -2.444166 0.650577 0.105654
C 1.175812 0.692260 -0.069385
C 3.308568 -0.287283 -0.288094
C 4.118907 -1.562358 -0.434659
C -3.193777 -1.724843 -0.114170
C 1.717250 1.996972 0.041179
C -3.781562 1.098992 0.218938
C 3.924018 0.988102 -0.185946
C 3.117382 2.138480 -0.019270
C -4.518337 -1.253029 0.001073
C -4.808119 0.135605 0.164747
C 4.179752 -2.366050 0.891145
H -0.166108 -1.647231 -0.257358
H 3.650929 -2.190648 -1.214987
H 5.143266 -1.318076 -0.771165
H -2.982508 -2.791732 -0.239712
H 1.040152 2.845974 0.165908
H -3.996483 2.164414 0.344183
H 5.014271 1.070230 -0.238561
H 3.576565 3.129480 0.059844
H -5.346712 -1.969242 -0.035992
H -5.852951 0.453625 0.249463
H 4.679223 -1.784622 1.687340
H 4.738628 -3.308848 0.751135
H 3.160175 -2.612512 1.236047


