%chk=000036349.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036349

0 1
 O   0.6611000      0.4125000      -1.085100    
 O    4.918100     -0.7743000      0.5812000    
 O    3.932300      0.8875000     -0.6605000    
 N   3.6800001E-02  -1.755900     -0.9341000    
 N    3.303500      -1.335400     -0.8736000    
 C  -0.5871000      0.3679000     -0.5414000    
 C  -0.9621000     -0.9496000     -0.4518000    
 C   -1.171800       1.636000     -0.2136000    
 C   -2.203800      -1.434900      6.4499997E-02
 C   0.9340000     -0.8916000      -1.278000    
 C    2.284300      -1.168000      -1.883900    
 C   -2.559800       1.806200     -0.2561000    
 C  -0.3582000       2.714200      0.1506000    
 C   -3.299100      -1.611400     -0.7864000    
 C   -2.331300      -1.736700       1.423700    
 C   -3.127500       3.040100      6.1799999E-02
 C  -0.9258000       3.948100      0.4687000    
 C   -4.510700      -2.085100     -0.2828000    
 C   -3.542700      -2.210500       1.927300    
 C   -2.310500       4.111000      0.4242000    
 C   -4.632400      -2.384700       1.074000    
 C    4.039600     -0.2940000     -0.3489000    
 C    5.753700      0.2019000       1.213300    
 C    6.659200     -0.4935000       2.207300    
 H    2.243300      -2.094100      -2.466100    
 H    2.570300     -0.3521000      -2.556600    
 H   -3.233900       1.017300     -0.5640000    
 H   0.7237000       2.614300      0.2008000    
 H   -3.221500      -1.384900      -1.847600    
 H   -1.491900      -1.606900       2.103200    
 H    3.479700      -2.270700     -0.5193000    
 H   -4.205000       3.169700      1.9900000E-02
 H  -0.2900000       4.781700      0.7523000    
 H   -5.359100      -2.220900     -0.9471000    
 H   -3.637700      -2.443700       2.983800    
 H   -2.752300       5.072100      0.6703000    
 H   -5.575600      -2.753500       1.466200    
 H    6.358500      0.7107000      0.4545000    
 H    5.128100      0.9361000       1.732900    
 H    7.313000      0.2247000       2.709800    
 H    6.068300      -1.022500       2.962300    
 H    7.278300      -1.244100       1.705000    


%chk=000036349-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036349

0 1
O 0.575616 0.610083 -0.759249
O 5.118523 -0.789950 0.550329
O 4.657857 0.547846 -1.340040
N -0.148913 -1.535068 -0.997953
N 3.233760 -1.193261 -0.649432
C -0.769741 0.562415 -0.287314
C -1.199420 -0.766223 -0.416493
C -1.340718 1.851623 0.112391
C -2.449572 -1.443107 -0.021475
C 0.867428 -0.705512 -1.177480
C 2.235825 -1.005901 -1.710955
C -2.734897 2.112129 -0.008052
C -0.486077 2.887962 0.585230
C -2.831393 -2.628530 -0.708335
C -3.258115 -0.986425 1.055576
C -3.259344 3.368534 0.357509
C -1.016760 4.142824 0.947123
C -4.005905 -3.320911 -0.348387
C -4.430913 -1.683216 1.415237
C -2.405860 4.388533 0.841127
C -4.815212 -2.849268 0.711795
C 4.353439 -0.390745 -0.559234
C 6.377345 -0.018858 0.759347
C 7.033940 -0.588459 2.012926
H 2.153668 -1.914073 -2.334203
H 2.596661 -0.174375 -2.340510
H -3.401024 1.340685 -0.406560
H 0.589787 2.701000 0.659760
H -2.189757 -2.996313 -1.515068
H -2.958680 -0.101593 1.626756
H 3.107104 -1.930049 0.045504
H -4.333772 3.555658 0.253616
H -0.346574 4.929431 1.310624
H -4.288778 -4.229558 -0.891450
H -5.039246 -1.321962 2.252003
H -2.817015 5.364020 1.122976
H -5.727205 -3.387450 0.993040
H 7.012803 -0.132774 -0.137741
H 6.121173 1.050792 0.865857
H 7.978600 -0.051857 2.216453
H 6.373752 -0.474838 2.889777
H 7.263606 -1.660261 1.885672


