%chk=000021102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021102

0 1
 O  -0.3197000     -0.9597000      0.6235000    
 O   -3.361800       1.290400     -0.9843000    
 O  -0.7551000      0.4691000      -1.167100    
 O    5.957000     -0.9732000      -1.143400    
 O   -3.420100       2.061100       1.225300    
 N    4.999400      0.5850000      0.3444000    
 C   -2.514800     -0.8089000     -0.1904000    
 C    1.020300     -0.5696000      0.5522000    
 C    3.661200      0.1968000      0.4142000    
 C   -3.580800      2.6699999E-02 -0.5233000    
 C    3.214700     -0.9022000     -0.3195000    
 C    2.769700      0.9075000       1.217900    
 C    1.876800      -1.290500     -0.2497000    
 C    1.431800      0.5190000       1.287900    
 C   -2.760400      -2.098800      0.2804000    
 C   -1.137900     -0.3548000     -0.3265000    
 C   -4.892500     -0.4275000     -0.3855000    
 C   -4.072100      -2.552900      0.4183000    
 C   -5.138100      -1.717300      8.5400000E-02
 C    6.032300       0.000000     -0.4004000    
 C    7.342000      0.7210000     -0.2024000    
 C   -3.297100       2.264300      2.4700001E-02
 C   -3.054500       3.614600     -0.5817000    
 H    3.844100      -1.501500     -0.9625000    
 H    3.103600       1.765900       1.795300    
 H    1.527800      -2.146300     -0.8192000    
 H   0.7379000       1.071400       1.913600    
 H   -1.952500      -2.780000      0.5343000    
 H   -5.728100      0.2175000     -0.6436000    
 H   -4.263800      -3.558400      0.7815000    
 H   -6.159400      -2.071300      0.1918000    
 H    5.246400       1.395400      0.9087000    
 H    7.250400       1.754600     -0.5477000    
 H    8.129500      0.2231000     -0.7749000    
 H    7.614400      0.7118000      0.8567000    
 H   -2.104800       3.610400      -1.122300    
 H   -3.001400       4.364800      0.2124000    
 H   -3.878600       3.871800      -1.251600    


%chk=000021102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021102

0 1
O -0.311504 -0.879003 0.084343
O -3.944454 1.426256 -0.661893
O -1.152559 1.234293 -0.478398
O 6.242139 -1.265642 -0.781860
O -3.268697 2.162562 1.463974
N 5.177879 0.511835 0.325131
C -2.680850 -0.646074 -0.079409
C 1.052860 -0.452709 0.109069
C 3.805137 0.141858 0.228226
C -3.903269 0.054523 -0.305040
C 3.365121 -1.044913 -0.417794
C 2.849319 1.015245 0.814972
C 1.986449 -1.332346 -0.472460
C 1.473562 0.726140 0.762208
C -2.755141 -2.037273 0.211973
C -1.361170 0.036347 -0.183105
C -5.142002 -0.614834 -0.263115
C -3.991190 -2.707801 0.263192
C -5.189320 -1.995786 0.017556
C 6.300809 -0.164925 -0.158444
C 7.631654 0.530895 0.122231
C -3.486506 2.417058 0.269439
C -3.351563 3.734962 -0.443803
H 4.100630 -1.716159 -0.863198
H 3.181673 1.931474 1.319498
H 1.628985 -2.241457 -0.965376
H 0.747494 1.406001 1.212172
H -1.822177 -2.576130 0.391292
H -6.052547 -0.037707 -0.448519
H -4.022081 -3.778233 0.489617
H -6.155589 -2.510195 0.050896
H 5.357908 1.392049 0.812717
H 8.136779 0.736534 -0.837293
H 8.281219 -0.156138 0.691323
H 7.536633 1.476918 0.683400
H -2.414953 3.703991 -1.029096
H -3.300033 4.556411 0.285454
H -4.184843 3.891272 -1.147376


