%chk=000023561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023561

2 1
 O  -3.9999999E-04 -8.9699998E-02   0.000000    
 N    7.399900      0.3044000      1.3000000E-02
 N   -7.399900      0.3044000     -1.3000000E-02
 C    6.259000     -0.6410000      4.4000000E-03
 C   -6.258800     -0.6409000     -4.4999998E-03
 C    4.935300      0.1126000     -3.9099999E-02
 C   -4.935300      0.1127000      3.9099999E-02
 C    3.710600     -0.8071000     -5.9999999E-02
 C   -3.710500     -0.8068000      5.9999999E-02
 C    7.301200       1.270900       1.202600    
 C    8.733800     -0.4487000      0.1221000    
 C    7.429300       1.138900      -1.275900    
 C   -7.301300       1.270700      -1.202600    
 C   -8.733800     -0.4490000     -0.1221000    
 C   -7.429400       1.138800       1.275800    
 C    2.410400      3.3000000E-03 -2.5800001E-02
 C   -2.410300      3.7000000E-03  2.5800001E-02
 C    1.175000     -0.8890000     -1.2500000E-02
 C   -1.174900     -0.8885000      1.2600000E-02
 H    6.364200      -1.298400     -0.8670000    
 H    6.320700      -1.258400      0.9088000    
 H   -6.364000      -1.298400      0.8669000    
 H   -6.320400      -1.258400     -0.9088000    
 H    4.869400      0.7511000     -0.9254000    
 H    4.826000      0.7581000      0.8382000    
 H   -4.869400      0.7512000      0.9254000    
 H   -4.826000      0.7583000     -0.8381000    
 H    3.734900      -1.432300     -0.9604000    
 H    3.744400      -1.480700      0.8048000    
 H   -3.734800      -1.432000      0.9605000    
 H   -3.744200      -1.480500     -0.8047000    
 H    7.129100      0.6856000       2.110400    
 H    8.249400       1.813000       1.278500    
 H    6.498500       1.992200       1.030800    
 H    8.814400      -1.121600     -0.7365000    
 H    9.551100      0.2785000      0.1189000    
 H    8.727900      -1.016300       1.057200    
 H    7.373400      0.4573000      -2.129500    
 H    6.599500       1.849200      -1.278900    
 H    8.371800       1.695500      -1.298400    
 H   -7.129000      0.6852000      -2.110400    
 H   -8.249600       1.812700      -1.278600    
 H   -6.498800       1.992100      -1.030900    
 H   -8.814200      -1.121800      0.7366000    
 H   -9.551100      0.2781000     -0.1190000    
 H   -8.727700      -1.016600      -1.057200    
 H   -6.599700       1.849200       1.278900    
 H   -8.371900       1.695200       1.298300    
 H   -7.373500      0.4572000       2.129500    
 H    2.361800      0.6749000     -0.8921000    
 H    2.391500      0.6534000      0.8580000    
 H   -2.361800      0.6754000      0.8920000    
 H   -2.391400      0.6537000     -0.8580000    
 H    1.190300      -1.529400      0.8773000    
 H    1.170700      -1.528100     -0.9035000    
 H   -1.190500      -1.529100     -0.8771000    
 H   -1.171000      -1.527700      0.9035000    


%chk=000023561-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023561

2 1
O -0.000002 -0.122444 0.000138
N 7.598957 0.322982 0.013914
N -7.598964 0.322876 -0.014049
C 6.287784 -0.516528 0.011104
C -6.287784 -0.516620 -0.011126
C 4.970574 0.275480 0.011626
C -4.970583 0.275403 -0.011553
C 3.768626 -0.708752 0.006092
C -3.768624 -0.708815 -0.005934
C 7.679042 1.201534 1.261029
C 8.780515 -0.651095 0.017825
C 7.685389 1.199193 -1.234471
C -7.678951 1.201414 -1.261179
C -8.780512 -0.651212 -0.018049
C -7.685508 1.199100 1.234320
C 2.411708 0.033924 0.006362
C -2.411715 0.033878 -0.006149
C 1.222085 -0.935409 0.001745
C -1.222078 -0.935435 -0.001483
H 6.351069 -1.160094 -0.884969
H 6.349385 -1.163760 0.904665
H -6.351131 -1.160183 0.884945
H -6.349308 -1.163857 -0.904688
H 4.894551 0.925971 -0.879647
H 4.891664 0.919357 0.907423
H -4.894630 0.925899 0.879722
H -4.891617 0.919277 -0.907347
H 3.831351 -1.364860 -0.886006
H 3.828375 -1.371083 0.893802
H -3.831388 -1.364909 0.886172
H -3.828317 -1.371161 -0.893635
H 7.571642 0.568194 2.154850
H 8.656928 1.706807 1.277691
H 6.877407 1.952448 1.234210
H 8.729605 -1.283977 -0.881241
H 9.721298 -0.079752 0.017580
H 8.727361 -1.279496 0.919896
H 7.585733 0.563715 -2.127671
H 6.881606 1.948028 -1.214714
H 8.662013 1.707038 -1.245558
H -7.571477 0.568064 -2.154984
H -8.656836 1.706685 -1.277927
H -6.877318 1.952328 -1.234304
H -8.729677 -1.284077 0.881034
H -9.721301 -0.079877 -0.017899
H -8.727271 -1.279629 -0.920103
H -6.881727 1.947940 1.214626
H -8.662136 1.706939 1.245318
H -7.585926 0.563631 2.127535
H 2.332683 0.690336 -0.881303
H 2.330208 0.685212 0.897563
H -2.332736 0.690298 0.881515
H -2.330189 0.685162 -0.897351
H 1.243123 -1.591377 0.901452
H 1.247447 -1.588092 -0.900254
H -1.243077 -1.591414 -0.901182
H -1.247447 -1.588104 0.900525


