%chk=000030610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030610

0 1
 O   -5.135000     -0.2139000      0.1028000    
 O   -3.366400      -1.412900      0.9810000    
 O  -0.5821000       2.459400     -4.8300002E-02
 N   -1.832500      0.5804000     -0.6013000    
 N   0.4250000      0.3508000     -0.2899000    
 C   -3.046000      0.7909000      0.1320000    
 C   -2.921500       1.225900      -1.273900    
 C   -3.834400     -0.4081000      0.4629000    
 C  -0.6420000       1.255300     -0.2866000    
 C    1.789800      0.6143000     -3.3599999E-02
 C    2.760500     -0.3998000     -7.9400003E-02
 C    4.112300     -7.6200001E-02  0.1869000    
 C   -6.016700      -1.309400      0.3686000    
 C    2.146700       1.928400      0.2707000    
 C    2.419300      -1.727600     -0.3838000    
 C    4.453600       1.251900      0.4911000    
 C    3.476100       2.246600      0.5323000    
 C    5.083000      -1.089900      0.1410000    
 C   -7.412900     -0.9398000     -8.4799998E-02
 C    3.396900      -2.722200     -0.4248000    
 C    4.726300      -2.404000     -0.1627000    
 H   -2.971600       1.538100      0.9134000    
 H   -3.342600      0.6250000      -2.067300    
 H   -2.781600       2.275700      -1.489500    
 H   0.1617000     -0.6026000     -0.5092000    
 H   -5.672700      -2.195300     -0.1767000    
 H   -6.020800      -1.522500       1.443400    
 H    1.467100       2.764200      0.3280000    
 H    1.403500      -2.043600     -0.5981000    
 H    5.486400       1.523400      0.6992000    
 H    3.755300       3.269300      0.7694000    
 H    6.128200     -0.8640000      0.3422000    
 H   -8.114600      -1.757100      0.1038000    
 H   -7.763800     -4.4500001E-02  0.4389000    
 H   -7.421400     -0.7061000      -1.154600    
 H    3.120600      -3.745700     -0.6613000    
 H    5.486700      -3.178800     -0.1949000    


%chk=000030610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030610

0 1
O -4.585944 -0.470972 0.020174
O -2.936111 -1.502884 1.309124
O -0.501951 3.025683 -0.837330
N -2.087054 1.279433 -0.557163
N 0.180825 0.793533 -0.401435
C -2.723947 0.854819 0.758351
C -3.210875 2.078639 -0.013318
C -3.405840 -0.484104 0.744224
C -0.747710 1.812059 -0.593810
C 1.598863 0.880468 -0.389353
C 2.340695 -0.296152 0.026059
C 3.789357 -0.240727 -0.009336
C -5.287798 -1.788381 -0.126294
C 2.274230 2.049478 -0.774918
C 1.718620 -1.509406 0.477823
C 4.448495 0.965264 -0.416754
C 3.699296 2.084276 -0.779439
C 4.542799 -1.398943 0.376199
C -6.557100 -1.522509 -0.926859
C 2.481220 -2.619943 0.850643
C 3.908142 -2.569536 0.793309
H -2.129225 1.021782 1.664874
H -4.144493 2.005251 -0.575795
H -2.966724 3.064674 0.400250
H -0.226184 -0.136899 -0.289923
H -4.599336 -2.485463 -0.637013
H -5.492876 -2.181801 0.885449
H 1.696664 2.926400 -1.073013
H 0.628512 -1.591011 0.569776
H 5.543856 0.992180 -0.434857
H 4.200893 3.008553 -1.085635
H 5.637384 -1.344328 0.339714
H -7.111692 -2.467813 -1.069011
H -7.215168 -0.810597 -0.400237
H -6.317451 -1.108394 -1.920824
H 1.981904 -3.530839 1.197762
H 4.496124 -3.446191 1.085486


