%chk=000018421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018421

1 1
 O   -2.046500       1.723700      6.5399997E-02
 N   0.6537000       1.444600     -0.3531000    
 N   -2.487900     -0.5666000     -0.2204000    
 C    2.095400       1.034500     -0.6168000    
 C  -0.2431000      0.2167000     -0.4171000    
 C   0.5504000       2.076700       1.027500    
 C   0.2121000       2.450800      -1.406100    
 C    2.556200      2.3100000E-02  0.4273000    
 C   -1.690200      0.5721000     -0.1612000    
 C    3.999300     -0.3895000      0.2738000    
 C    4.313800      -1.479400     -0.5232000    
 C    4.985900      0.3284000      0.9320000    
 C   -3.888800     -0.6486000     -3.6600001E-02
 C    5.647900      -1.861000     -0.6655000    
 C    6.320000     -5.3199999E-02  0.7896000    
 C    6.650900      -1.147800     -9.1000004E-03
 C   -4.513700      -1.880900     -0.1335000    
 C   -4.605200      0.5049000      0.2369000    
 C   -5.894300      -1.962100      4.7899999E-02
 C   -5.985800      0.4235000      0.4185000    
 C   -6.630300     -0.8099000      0.3239000    
 H    2.712900       1.941000     -0.5940000    
 H    2.141000      0.6136000      -1.628800    
 H  -0.1300000     -0.2402000      -1.406500    
 H   4.6900000E-02 -0.4891000      0.3651000    
 H    1.452800       2.672500       1.202400    
 H  -0.3027000       2.756500       1.081700    
 H   0.4576000       1.296900       1.789000    
 H   8.5500002E-02   1.927400      -2.358700    
 H  -0.6997000       2.975700      -1.123000    
 H    1.006800       3.198100      -1.505700    
 H    2.432300      0.4011000       1.448200    
 H    1.972900     -0.9020000      0.3827000    
 H   -2.026000      -1.451600     -0.4192000    
 H    3.540700      -2.039600      -1.041300    
 H    4.738300       1.183700       1.554200    
 H    5.905900      -2.712700      -1.288000    
 H    7.101300      0.5024000       1.300100    
 H    7.689800      -1.444600     -0.1202000    
 H   -3.949800      -2.784400     -0.3480000    
 H   -4.180300       1.493800      0.3252000    
 H   -6.396300      -2.922400     -2.5599999E-02
 H   -6.560400       1.320000      0.6334000    
 H   -7.705300     -0.8731000      0.4652000    


%chk=000018421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018421

1 1
O -2.169701 1.754573 0.423569
N 0.659991 1.375899 -0.089556
N -2.611418 -0.493457 -0.108107
C 2.104080 0.836643 -0.335804
C -0.280958 0.187499 0.151495
C 0.654600 2.329081 1.112011
C 0.244810 2.152020 -1.345792
C 2.708297 -0.055869 0.769648
C -1.786312 0.572885 0.156281
C 4.137478 -0.411716 0.356096
C 4.390630 -1.555871 -0.441883
C 5.221105 0.421508 0.732558
C -4.049321 -0.541502 -0.086914
C 5.706288 -1.864953 -0.854000
C 6.537178 0.113518 0.321407
C 6.781871 -1.028916 -0.475127
C -4.643385 -1.795728 -0.384412
C -4.857101 0.585613 0.209948
C -6.046008 -1.925578 -0.385279
C -6.261056 0.436128 0.205441
C -6.861913 -0.808399 -0.089721
H 2.732364 1.732988 -0.478223
H 2.067467 0.286762 -1.293286
H -0.054898 -0.559888 -0.630185
H -0.012954 -0.240266 1.132719
H 1.372231 3.139313 0.910810
H -0.365671 2.720043 1.228470
H 0.953937 1.776861 2.014380
H 0.188775 1.453479 -2.195510
H -0.731916 2.620993 -1.167377
H 1.008953 2.918568 -1.545059
H 2.723859 0.474626 1.738407
H 2.120438 -0.982970 0.896199
H -2.167999 -1.389251 -0.335210
H 3.564920 -2.221585 -0.725659
H 5.044518 1.300595 1.365939
H 5.893604 -2.757288 -1.460324
H 7.369210 0.756063 0.627578
H 7.802293 -1.270579 -0.789735
H -4.016604 -2.668272 -0.612661
H -4.397902 1.548813 0.435535
H -6.499975 -2.894676 -0.614767
H -6.888133 1.303865 0.434605
H -7.951671 -0.908577 -0.090104


