%chk=000151326.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151326

0 1
 O    4.879900      -3.999100     -0.4392000    
 O    2.860900      -4.836200     -0.2350000    
 O   -7.115600      0.1691000      -1.058700    
 O   -7.019600     -8.1000000E-02   1.120200    
 N    1.632800       1.297500      0.7329000    
 N  -0.1061000     -0.9456000      0.7147000    
 N    3.650100      -3.860700     -0.2327000    
 N   -6.465100     -3.1199999E-02 -4.4999998E-03
 C    2.125700     -4.0000002E-03  0.4918000    
 C    1.271000      -1.103600      0.4831000    
 C    3.489300     -0.1828000      0.2598000    
 C    1.771700      -2.381200      0.2439000    
 C    2.052300       2.569300      0.3011000    
 C    3.135500      -2.560000      1.1800000E-02
 C    3.994200      -1.460700      1.9600000E-02
 C   -2.295200     -0.5534000     -0.2485000    
 C    1.836700       3.689600       1.106700    
 C    2.685500       2.715900     -0.9352000    
 C  -0.8548000     -0.7345000     -0.3330000    
 C   -3.039000     -0.3295000      -1.407000    
 C   -2.933000     -0.6043000      0.9910000    
 C   -5.058700     -0.2073000     -8.6599998E-02
 C    2.252000       4.950400      0.6782000    
 C    3.100800       3.976700      -1.363500    
 C   -4.420600     -0.1564000      -1.326000    
 C   -4.314800     -0.4311000       1.072000    
 C    2.884100       5.094000     -0.5569000    
 H   0.8107000       1.315800       1.330000    
 H    4.186500      0.6501000      0.2837000    
 H    1.080900      -3.221500      0.2441000    
 H    5.062700      -1.562900     -0.1520000    
 H    1.345800       3.591000       2.071700    
 H    2.846600       1.867900      -1.595200    
 H  -0.4036000     -0.6852000      -1.342100    
 H   -2.555800     -0.2873000      -2.379700    
 H   -2.378700     -0.7770000       1.909700    
 H   -4.967900      1.6100001E-02  -2.249300    
 H   -4.778100     -0.4769000       2.054400    
 H    2.083100       5.820400       1.306000    
 H    3.588000       4.089800      -2.327600    
 H    3.206400       6.075800     -0.8912000    


%chk=000151326-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151326

0 1
O 4.868758 -4.056982 -0.538203
O 2.708662 -4.802018 -0.633381
O -7.541813 -0.690687 -0.302051
O -6.933306 1.266166 0.705104
N 1.640417 1.425909 0.171124
N -0.115553 -0.543951 -0.077007
N 3.588652 -3.856253 -0.514263
N -6.654340 0.136869 0.141811
C 2.190169 0.173971 -0.011732
C 1.243211 -0.919877 -0.167282
C 3.589166 -0.115964 -0.012904
C 1.721357 -2.237606 -0.330348
C 2.251878 2.706048 0.230392
C 3.107506 -2.479884 -0.346978
C 4.044706 -1.427169 -0.178838
C -2.515142 -0.922201 -0.280187
C 1.627576 3.701123 1.031481
C 3.407568 3.044883 -0.524192
C -1.111355 -1.318607 -0.442265
C -3.536800 -1.799329 -0.746347
C -2.886202 0.310508 0.333353
C -5.226056 -0.230819 -0.004764
C 2.158947 5.005206 1.089317
C 3.936801 4.350808 -0.449721
C -4.894803 -1.461453 -0.613688
C -4.236608 0.662371 0.472683
C 3.323033 5.336598 0.356804
H 0.615231 1.371870 0.282898
H 4.309832 0.685200 0.161332
H 1.046482 -3.093880 -0.419890
H 5.111270 -1.666162 -0.164862
H 0.737741 3.442219 1.617639
H 3.860958 2.315232 -1.201046
H -0.948034 -2.310488 -0.907641
H -3.258599 -2.750265 -1.215485
H -2.096442 0.972796 0.698668
H -5.693360 -2.119357 -0.965597
H -4.546702 1.600825 0.939370
H 1.668637 5.760287 1.713089
H 4.824455 4.601994 -1.040565
H 3.738701 6.348069 0.406674


