%chk=000123822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123822

0 1
 I   -7.596200      -1.429400      -1.171600    
 O   0.6202000      7.2999999E-02   1.971600    
 O    3.456200     -0.2079000     -0.9421000    
 O   -1.275400      0.2450000       3.289500    
 O    4.231900       4.458800     -0.8164000    
 O    3.551500      -4.925100     -0.5725000    
 O   -5.532200      0.4851000       1.010100    
 N   -4.441400      0.3636000      -1.072500    
 C   0.9533000      1.2200000E-02  0.5484000    
 C  -0.4003000      9.4599999E-02 -8.0600001E-02
 C    1.831800       1.202300      0.2171000    
 C    1.649600      -1.307600      0.2819000    
 C   -1.368600      0.1904000      0.9023000    
 C    3.009200       1.019600     -0.5171000    
 C    2.838600      -1.334800     -0.4557000    
 C  -0.7268000      0.1769000       2.207900    
 C  -0.7635000      8.6700000E-02  -1.418200    
 C    1.481900       2.508700      0.6022000    
 C    1.116100      -2.528300      0.7319000    
 C   -2.718300      0.2811000      0.6164000    
 C   -3.092000      0.2738000     -0.7277000    
 C    3.810900       2.111200     -0.8674000    
 C    3.473700      -2.547100     -0.7457000    
 C   -2.121200      0.1774000      -1.738900    
 C    2.285700       3.597200      0.2586000    
 C    1.753500      -3.737600      0.4486000    
 C    3.449400       3.398400     -0.4778000    
 C    2.931600      -3.746900     -0.2919000    
 C   -5.548500      0.4659000     -0.2181000    
 C   -6.860800      0.5426000     -0.9722000    
 H  -1.8400000E-02  1.2300000E-02  -2.203200    
 H   0.5738000       2.694400       1.170200    
 H   0.1925000      -2.551500       1.304800    
 H   -3.400800      0.3528000       1.449000    
 H   -2.415800      0.1721000      -2.785900    
 H    4.720100       1.948700      -1.441700    
 H    4.395200      -2.554500      -1.323300    
 H    1.994400       4.597800      0.5662000    
 H    1.316400      -4.664900      0.8091000    
 H   -4.633600      0.3486000      -2.071800    
 H    4.996100       4.137300      -1.325200    
 H    3.038000      -5.652500     -0.1811000    
 H   -6.715600       1.018400      -1.947400    
 H   -7.550700       1.174600     -0.4030000    


%chk=000123822-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123822

0 1
I -7.332943 0.341828 -2.851631
O 0.786764 0.125640 1.947223
O 3.876566 -0.240552 -0.308329
O -1.026196 0.329158 3.407943
O 4.296717 4.546524 -0.908598
O 3.757200 -5.002374 -0.265356
O -5.597573 0.485884 1.215516
N -4.592843 0.311027 -0.905764
C 1.005795 0.010046 0.396062
C -0.431216 0.077495 -0.114166
C 1.869545 1.182192 -0.014804
C 1.693249 -1.316828 0.152738
C -1.341336 0.202015 0.951265
C 3.246240 1.017469 -0.296591
C 3.080465 -1.387930 -0.133068
C -0.595171 0.232124 2.244906
C -0.903541 0.032275 -1.438604
C 1.352325 2.504825 -0.051221
C 0.996423 -2.543053 0.292025
C -2.733629 0.284431 0.765560
C -3.210605 0.238111 -0.570802
C 4.088525 2.107164 -0.600901
C 3.759966 -2.612272 -0.273300
C -2.293218 0.113539 -1.657577
C 2.161024 3.609519 -0.349446
C 1.643483 -3.781862 0.158494
C 3.538644 3.404466 -0.620716
C 3.036724 -3.809160 -0.121084
C -5.667809 0.424807 -0.049279
C -7.079946 0.490643 -0.642176
H -0.214106 -0.062263 -2.283253
H 0.292278 2.664062 0.172539
H -0.073578 -2.520657 0.523330
H -3.416034 0.380318 1.612417
H -2.679792 0.080817 -2.683951
H 5.145676 1.914506 -0.813416
H 4.829267 -2.631014 -0.493587
H 1.762466 4.626853 -0.368699
H 1.080683 -4.715340 0.278931
H -4.821739 0.272476 -1.906334
H 5.247057 4.318822 -1.063035
H 3.175519 -5.788945 -0.118878
H -7.540545 1.451545 -0.367263
H -7.679283 -0.334931 -0.230321


