%chk=000169491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169491

0 1
 O    4.690400      0.3289000     -0.6869000    
 O    1.305500       2.826300       2.183400    
 O    2.746000      0.6676000      -1.867100    
 O  -0.6640000       1.793500      -3.171100    
 O   -2.501600       2.287100      -1.933500    
 O   -3.494700       1.957000       1.524100    
 N    1.339100       1.335200      0.4034000    
 N   -1.391500       2.800600       2.102100    
 C    2.714900      0.9137000      0.5365000    
 C    2.843900     -0.2770000       1.498100    
 C  -0.7006000       2.554100      0.8597000    
 C    2.153600      -1.540200       1.035300    
 C  -0.8085000       3.768800     -6.9899999E-02
 C   0.7446000       2.263700       1.244700    
 C   0.8244000      -1.777400       1.385300    
 C   0.1878000      -2.942600      0.9574000    
 C  -0.4221000       3.486600      -1.523600    
 C    3.368100      0.6328000     -0.8103000    
 C    2.846400      -2.468200      0.2576000    
 C   -1.233300      -3.196600       1.331500    
 C   0.8805000      -3.870500      0.1798000    
 C    2.209600      -3.633300     -0.1702000    
 C   -2.238000      -2.651000      0.3366000    
 C   -1.321600       2.473300      -2.195600    
 C   -2.715100       2.478900       2.310800    
 C   -2.671900      -3.446600     -0.7239000    
 C   -2.729300      -1.353400      0.4816000    
 C   -3.596800      -2.944600      -1.639400    
 C   -3.654200     -0.8517000     -0.4341000    
 C    5.376200      3.2200001E-02  -1.907600    
 C   -4.087900      -1.647300      -1.494600    
 H    3.266500       1.761100      0.9646000    
 H    3.903900     -0.5028000       1.675300    
 H    2.443500      5.0000002E-04   2.482800    
 H   -1.150700       1.666800      0.4018000    
 H   -1.838700       4.148600     -5.3399999E-02
 H  -0.1765000       4.583100      0.3077000    
 H   0.7884000      0.9189000     -0.3420000    
 H   0.2850000      -1.054700       1.993000    
 H  -0.4834000       4.412500      -2.106500    
 H   0.6139000       3.135300      -1.570000    
 H    3.884100      -2.302100     -1.7400000E-02
 H   -1.400200      -4.274900       1.461400    
 H   -1.441100      -2.775100       2.324900    
 H  -0.8876000       3.257100       2.857800    
 H   0.3973000      -4.782800     -0.1597000    
 H    2.749500      -4.356500     -0.7744000    
 H   -3.025600       2.762600       3.329900    
 H   -2.297500      -4.459200     -0.8479000    
 H   -2.398100     -0.7246000       1.303300    
 H   -3.934500      -3.563900      -2.465300    
 H   -4.039600      0.1569000     -0.3272000    
 H    6.417800     -0.1953000      -1.665500    
 H    5.351700      0.8982000      -2.575800    
 H    4.929100     -0.8422000      -2.390200    
 H   -4.807600      -1.256300      -2.207800    
 H   -1.245900       1.142300      -3.617900    


%chk=000169491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169491

0 1
O 4.644168 0.441285 -0.393848
O 1.247563 3.115531 1.850719
O 2.860841 1.278254 -1.627663
O -0.754106 0.231638 -1.357180
O -1.931277 1.093387 -3.165700
O -3.616493 2.575854 1.558438
N 1.172260 1.146266 0.594566
N -1.432339 3.392463 1.754523
C 2.582626 0.821985 0.803531
C 2.791178 -0.518801 1.582464
C -0.845042 2.561038 0.692398
C 2.160301 -1.735764 0.920408
C -0.940476 3.298719 -0.683392
C 0.619422 2.296436 1.099453
C 0.818823 -2.091412 1.203253
C 0.199702 -3.213197 0.596491
C -0.362349 2.550727 -1.921805
C 3.328922 0.870571 -0.541310
C 2.898393 -2.535792 0.008336
C -1.259040 -3.556737 0.912470
C 0.956284 -3.996835 -0.309053
C 2.298132 -3.658840 -0.600352
C -2.247438 -2.550113 0.320515
C -1.102556 1.269051 -2.249507
C -2.755005 3.322984 2.112942
C -2.568908 -2.586371 -1.063937
C -2.833278 -1.539726 1.124560
C -3.460168 -1.639052 -1.624317
C -3.709183 -0.576757 0.567390
C 5.484825 0.512627 -1.616725
C -4.028259 -0.629534 -0.808747
H 2.999232 1.639590 1.427086
H 3.878727 -0.662602 1.702650
H 2.356551 -0.365443 2.587051
H -1.411983 1.615590 0.635663
H -2.009173 3.525590 -0.852721
H -0.407039 4.263951 -0.594002
H 0.603893 0.571479 -0.050945
H 0.246215 -1.482237 1.914950
H -0.463248 3.210894 -2.799351
H 0.709556 2.321855 -1.780773
H 3.942909 -2.282596 -0.208986
H -1.481875 -4.568375 0.525234
H -1.397563 -3.593629 2.009703
H -0.759451 3.961803 2.283288
H 0.499187 -4.876749 -0.778293
H 2.877118 -4.277781 -1.295101
H -3.004468 3.999817 2.960939
H -2.129351 -3.364298 -1.700532
H -2.598882 -1.501183 2.195954
H -3.700158 -1.677131 -2.691971
H -4.115211 0.228296 1.187871
H 6.470723 0.145620 -1.300090
H 5.542524 1.553664 -1.975140
H 5.054572 -0.121614 -2.409468
H -4.694303 0.120540 -1.246468
H -1.322428 -0.581538 -1.503870


