%chk=000031476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031476

0 1
 O   -1.558600      -2.295500     -0.9026000    
 O    3.216500      -1.554500      0.4959000    
 N   0.8120000     -0.7109000     -0.2684000    
 N    4.346800      0.4007000     -2.7700000E-02
 C   -2.552500       1.006900     -0.2243000    
 C   -2.716300     -0.4636000      0.2561000    
 C   -1.039200       1.027100      0.1534000    
 C   -2.193100     -0.4384000       1.710300    
 C  -0.4463000     -0.1332000     -0.6972000    
 C   -1.067800      0.6172000       1.651900    
 C   -1.571600      -1.136100     -0.5172000    
 C   -2.826300       1.236000      -1.724600    
 C   -3.424200       2.029200      0.5347000    
 C   -4.064900      -1.118000      7.3799998E-02
 C    1.909000      0.2390000     -0.4215000    
 C    3.201200     -0.4003000      5.9099998E-02
 C    5.664500     -6.8400003E-02  0.3950000    
 C    4.310700       1.762600     -0.5465000    
 H  -0.5408000       1.985300     -1.5500000E-02
 H   -1.798800      -1.411200       2.026600    
 H   -2.966900     -0.1428000       2.426700    
 H  -0.3947000      0.1422000      -1.756200    
 H   -1.309700       1.474300       2.289500    
 H  -0.1153000      0.2153000       2.010000    
 H   -3.904400       1.271700      -1.920600    
 H   -2.432700      0.4536000      -2.378800    
 H   -2.397800       2.190400      -2.050500    
 H   -3.367400       1.949400       1.622400    
 H   -4.481100       1.913000      0.2693000    
 H   -3.124700       3.050500      0.2726000    
 H   -4.051800      -2.149600      0.4424000    
 H   -4.847200     -0.5789000      0.6170000    
 H   -4.349000      -1.157300     -0.9831000    
 H    1.009800      -1.541700     -0.8266000    
 H    1.723200       1.127300      0.1907000    
 H    2.017100      0.5120000      -1.476900    
 H    5.613700      -1.093000      0.7714000    
 H    6.035200      0.5870000       1.188300    
 H    6.343500     -3.4499999E-02 -0.4617000    
 H    4.673200       2.437100      0.2357000    
 H    3.329500       2.109800     -0.8648000    
 H    4.986900       1.820700      -1.405300    


%chk=000031476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031476

0 1
O -1.261981 -2.310494 -0.585195
O 3.240065 -1.608634 0.040454
N 0.855802 -0.358072 0.115905
N 4.501370 0.334786 -0.206159
C -2.667632 1.003381 -0.276411
C -2.766814 -0.487813 0.244139
C -1.198503 1.206340 0.258751
C -2.365154 -0.319576 1.767629
C -0.428238 0.036612 -0.444680
C -1.302585 0.834819 1.765187
C -1.478956 -1.101860 -0.331503
C -2.829227 1.125435 -1.814838
C -3.687852 1.967064 0.372300
C -4.037690 -1.294091 -0.002800
C 1.997760 0.481808 -0.225535
C 3.295744 -0.347240 -0.114434
C 5.762459 -0.413334 -0.061295
C 4.623622 1.788446 -0.388611
H -0.770582 2.203733 0.056892
H -1.970393 -1.261766 2.186402
H -3.270484 -0.055830 2.344398
H -0.335492 0.293438 -1.531445
H -1.625712 1.692892 2.379358
H -0.320563 0.488461 2.130079
H -3.898019 1.055336 -2.090314
H -2.297983 0.341262 -2.381815
H -2.461630 2.107883 -2.167375
H -3.638956 1.979681 1.473243
H -4.719811 1.694139 0.081892
H -3.507234 3.000078 0.018064
H -3.899043 -2.338375 0.330212
H -4.895546 -0.866214 0.547573
H -4.295129 -1.327027 -1.077280
H 1.077192 -1.363271 0.047774
H 2.057381 1.366253 0.443175
H 1.929834 0.884035 -1.271623
H 5.516486 -1.470189 0.121592
H 6.351748 -0.020646 0.789641
H 6.372167 -0.334223 -0.981705
H 4.871554 2.300091 0.563284
H 3.695703 2.222323 -0.789331
H 5.432022 2.000761 -1.112795


