%chk=000003714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003714

0 1
 O   -3.552900       2.994200      0.3135000    
 N    1.757900     -0.8029000     -0.3034000    
 N  -0.8661000      -1.746200     -0.3030000    
 N   -1.537800       4.196000      0.3650000    
 N    2.197000      -5.582800      0.5144000    
 C   0.7115000      4.4599999E-02 -0.1714000    
 C   0.8773000       1.458700     -2.5100000E-02
 C  -0.1192000       2.423900      0.1178000    
 C  -0.6035000     -0.4270000     -0.1712000    
 C   -1.632700      0.5608000     -2.4400000E-02
 C   -1.428900       1.934000      0.1158000    
 C    2.342400       1.427700     -8.5000001E-02
 C    2.822200      8.6300001E-02 -0.2485000    
 C  -0.1184000       3.906600      0.2786000    
 C   -2.743200     -0.4023000     -8.4200002E-02
 C   -2.251800      -1.741800     -0.2476000    
 C    1.884500      -2.228800     -0.4637000    
 C   -2.339900       3.061700      0.2734000    
 C    3.302300       2.464600     -9.9999998E-03
 C    4.193400     -0.1972000     -0.3320000    
 C   -4.147400     -0.2358000     -1.0800000E-02
 C    1.993000      -2.983600      0.8617000    
 C   -3.118600      -2.842200     -0.3313000    
 C    4.666600       2.170300     -9.4599999E-02
 C    5.102800      0.8598000     -0.2529000    
 C   -5.002800      -1.340000     -9.5100001E-02
 C   -4.494300      -2.622400     -0.2527000    
 C    2.106400      -4.436200      0.6668000    
 H   0.3672000       4.225400       1.203900    
 H   0.2977000       4.420200     -0.5913000    
 H  -0.3059000      -2.574500     -0.3111000    
 H    1.186700      -2.619400      -1.206700    
 H    2.831200      -2.396600     -0.9966000    
 H   -1.910600       5.133000      0.4810000    
 H    2.986200       3.497100      0.1140000    
 H    4.566200      -1.209900     -0.4468000    
 H   -4.584000      0.7499000      0.1124000    
 H    1.121300      -2.773400       1.492200    
 H    2.865500      -2.625900       1.422200    
 H   -2.730400      -3.849000     -0.4546000    
 H    5.392900       2.976500     -3.5000000E-02
 H    6.168300      0.6529000     -0.3143000    
 H   -6.077600      -1.189700     -3.6300000E-02
 H   -5.175200      -3.467100     -0.3162000    


%chk=000003714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003714

0 1
O -3.583190 2.916744 0.378320
N 1.974950 -0.786854 -0.392259
N -1.119665 -1.878124 -0.367916
N -1.482308 4.004689 0.403108
N 2.293528 -5.562497 0.702264
C 0.744028 -0.106316 -0.238763
C 1.012904 1.296601 -0.072403
C -0.067576 2.190971 0.095320
C -0.590195 -0.579754 -0.234527
C -1.685996 0.339464 -0.055744
C -1.397628 1.723568 0.106139
C 2.458392 1.462162 -0.114043
C 3.026192 0.155492 -0.300960
C -0.049828 3.698423 0.287962
C -2.910333 -0.448946 -0.089882
C -2.523144 -1.818696 -0.286900
C 2.162025 -2.229952 -0.483604
C -2.319038 2.884908 0.305049
C 3.317891 2.582124 -0.008731
C 4.419608 -0.049205 -0.375485
C -4.286973 -0.125282 0.024914
C 2.072939 -2.916596 0.920090
C -3.464626 -2.865116 -0.373129
C 4.712758 2.386337 -0.085910
C 5.255428 1.084417 -0.266474
C -5.232591 -1.166461 -0.060253
C -4.827624 -2.518232 -0.256772
C 2.196057 -4.378907 0.819986
H 0.507599 3.992779 1.201101
H 0.414240 4.220735 -0.573946
H -0.597644 -2.729252 -0.554714
H 1.418754 -2.668021 -1.173122
H 3.149453 -2.435397 -0.928592
H -1.858370 4.940793 0.543316
H 2.912248 3.589711 0.130863
H 4.857907 -1.043261 -0.514538
H -4.580269 0.918445 0.174543
H 1.110722 -2.663459 1.403821
H 2.874151 -2.522204 1.571735
H -3.158626 -3.906323 -0.522926
H 5.388920 3.243880 -0.005263
H 6.341907 0.956037 -0.321787
H -6.299628 -0.934951 0.025577
H -5.588043 -3.304972 -0.318565


