%chk=000005746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005746

0 1
 O    1.140300      -1.634800      -2.016400    
 O    2.884500       1.051400     -0.1102000    
 O   -3.183000      -1.976600      0.5398000    
 O   -1.145000       2.784700     -0.7947000    
 O    3.499700       2.446400       1.614800    
 N    1.808100      -1.675200       1.689700    
 N  -0.3807000      -1.693100     -0.1926000    
 N   -3.748200       2.759700     -4.4100001E-02
 N    5.074800       1.495800      0.2355000    
 C    1.927300      -1.740800      0.2352000    
 C   0.9053000      -1.155400     -0.6920000    
 C    1.253100      -2.831300       1.007700    
 C  -0.2115000      -2.852200      0.6742000    
 C   0.6745000      0.3904000     -0.7317000    
 C   -1.321300     -0.6944000     -0.1140000    
 C  -0.8074000      0.4936000     -0.4294000    
 C    1.520500       1.212200      0.2351000    
 C   -2.723500     -0.8722000      0.2707000    
 C   -1.623700       1.708800     -0.4499000    
 C    2.283500      -1.021600      -2.590800    
 C   -3.566400      0.3694000      0.3028000    
 C   -3.061700       1.576300     -3.4499999E-02
 C   -4.990400      0.1308000      0.7304000    
 C    3.791400       1.728100      0.6644000    
 H    2.919000      -1.921600     -0.1463000    
 H    1.732100      -3.785300       1.153000    
 H    1.058700      -1.046500       1.973200    
 H  -0.4706000      -3.765300      0.1296000    
 H  -0.8174000      -2.788900       1.584000    
 H   0.8124000      0.7980000      -1.738000    
 H    1.347500      0.9351000       1.279600    
 H    1.264300       2.274200      0.1361000    
 H    3.091600     -0.7959000      -1.892900    
 H    2.002200     -0.1209000      -3.143500    
 H    2.684500      -1.720300      -3.332400    
 H   -5.595400       1.039800      0.7642000    
 H   -5.014900     -0.3093000       1.733200    
 H   -5.482500     -0.5599000      3.7099998E-02
 H   -4.724600       2.798500      0.2140000    
 H   -3.272300       3.611300     -0.3157000    
 H    5.265300      0.8917000     -0.5570000    
 H    5.871700       1.920100      0.6981000    


%chk=000005746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005746

0 1
O 1.173420 -1.656794 -1.939859
O 2.954300 1.219749 -0.274154
O -3.163883 -2.054737 0.673009
O -1.230318 2.966286 -0.634426
O 3.652364 2.629362 1.484527
N 1.496599 -1.708204 1.897848
N -0.397641 -1.640060 -0.183855
N -3.809033 2.707949 -0.021060
N 5.158365 1.771867 -0.101069
C 1.878108 -1.711428 0.429230
C 0.921888 -1.083877 -0.600684
C 1.153111 -2.908161 1.038231
C -0.267850 -2.969534 0.449520
C 0.688739 0.473994 -0.682192
C -1.335211 -0.648506 -0.056627
C -0.798026 0.602580 -0.362568
C 1.559372 1.346204 0.230756
C -2.770096 -0.873009 0.353570
C -1.621263 1.769040 -0.364279
C 2.514827 -1.397625 -2.489599
C -3.625129 0.301260 0.360418
C -3.089384 1.546196 0.010335
C -5.080238 0.145329 0.747424
C 3.914428 1.944139 0.468304
H 2.950343 -1.688198 0.232897
H 1.658322 -3.840491 1.298770
H 0.658987 -1.123314 2.094509
H -0.335185 -3.768562 -0.310849
H -1.072810 -3.114828 1.187368
H 0.879143 0.784374 -1.727185
H 1.532202 1.031158 1.288339
H 1.240740 2.400162 0.162737
H 3.274190 -2.065026 -2.037317
H 2.820673 -0.343812 -2.343495
H 2.432156 -1.620408 -3.564798
H -5.344233 0.760597 1.631195
H -5.279195 -0.908856 0.998008
H -5.761488 0.430811 -0.079398
H -4.798848 2.743730 0.207754
H -3.290289 3.554833 -0.279265
H 5.275643 1.214386 -0.943029
H 5.954002 2.236228 0.327260


