%chk=000026978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026978

0 1
 O   -2.575100      0.9497000     -9.8000001E-03
 O   -1.399200       2.726800      0.8380000    
 N   -1.323800      -3.837200     -1.2600000E-02
 C  -0.2280000       1.095000     -0.5832000    
 C   0.1713000       2.153200      -1.695500    
 C  -0.6188000     -0.2889000      -1.219500    
 C   0.8936000      0.7951000      0.4525000    
 C  -0.7418000      -1.464300     -0.2351000    
 C   -1.446400       1.691500      0.1805000    
 C  -0.9138000       2.397900      -2.759700    
 C   0.5847000       3.526000      -1.130100    
 C    2.129700      0.2464000      7.3600002E-02
 C   -1.219300      -2.728100     -0.9536000    
 C   0.6268000       1.093500       1.789100    
 C    3.108900     -2.7999999E-03   1.064400    
 C    1.590000      0.8486000       2.763400    
 C    2.415400     -6.0199998E-02  -1.266900    
 C    2.823500      0.3040000       2.404900    
 C    4.345100     -0.5513000      0.6857000    
 C    3.648800     -0.6050000      -1.625100    
 C   -3.762100       1.446700      0.6163000    
 C  -3.7000000E-03  -4.408900      0.2586000    
 C   -2.226900      -4.867500     -0.5284000    
 C    4.611800     -0.8502000     -0.6507000    
 C   -4.891300      0.5208000      0.3070000    
 C   -5.599400     -0.1305000       1.236400    
 H    1.041100       1.822800      -2.259700    
 H   -1.584800     -0.1847000      -1.733600    
 H   3.1700000E-02 -0.5928000      -2.039600    
 H   0.2255000      -1.668100      0.2276000    
 H   -1.439700      -1.221300      0.5742000    
 H   -1.839200       2.777500      -2.315300    
 H  -0.5738000       3.133200      -3.497900    
 H   -1.146300       1.478700      -3.305300    
 H  -0.2703000       4.110900     -0.7797000    
 H    1.067700       4.121000      -1.914600    
 H    1.306900       3.430000     -0.3143000    
 H   -2.207900      -2.503200      -1.376100    
 H  -0.5660000      -2.972900      -1.801200    
 H  -0.3135000       1.439300       2.192200    
 H    1.377400       1.063800       3.806800    
 H    1.765800      9.2100002E-02  -2.108600    
 H    3.559900      0.1171000       3.183700    
 H    5.112600     -0.7511000       1.430500    
 H    3.860300     -0.8361000      -2.665300    
 H   -3.994300       2.440000      0.2156000    
 H   -3.595900       1.526600       1.697000    
 H   0.6635000      -3.689400      0.7424000    
 H   0.4844000      -4.777400     -0.6513000    
 H  -9.1399997E-02  -5.249400      0.9572000    
 H   -1.879500      -5.280700      -1.482300    
 H   -2.323800      -5.689700      0.1895000    
 H   -3.234400      -4.461400     -0.6729000    
 H    5.572000      -1.273700     -0.9304000    
 H   -5.146900      0.3765000     -0.7394000    
 H   -6.410300     -0.7898000      0.9467000    
 H   -5.385400     -2.0500001E-02   2.293700    


%chk=000026978-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026978

0 1
O -2.676182 0.599150 0.339839
O -1.567644 2.523384 0.994295
N -1.235670 -4.204050 0.085383
C -0.355527 0.869048 -0.434568
C -0.188621 1.946204 -1.618835
C -0.708608 -0.532950 -1.052483
C 0.916127 0.747178 0.467779
C -0.726611 -1.726049 -0.070602
C -1.547430 1.422428 0.390728
C -1.537738 2.314529 -2.291586
C 0.559398 3.227765 -1.188348
C 2.220218 0.346668 -0.052776
C -1.096604 -3.028306 -0.809255
C 0.803280 0.945942 1.853584
C 3.333214 0.184176 0.875812
C 1.895524 0.780610 2.755847
C 2.510131 0.090953 -1.440359
C 3.145667 0.406580 2.277650
C 4.628130 -0.203404 0.393492
C 3.780025 -0.286663 -1.882430
C -3.905806 1.089767 1.058341
C 0.032793 -4.595551 0.734417
C -1.854388 -5.346515 -0.618564
C 4.859034 -0.437395 -0.960592
C -4.837780 1.780436 0.097918
C -6.080611 1.327229 -0.199859
H 0.415054 1.445235 -2.397844
H -1.695308 -0.461033 -1.542887
H 0.026804 -0.752407 -1.848939
H 0.265407 -1.823689 0.406457
H -1.467303 -1.554206 0.730053
H -2.157261 2.948246 -1.631159
H -1.339211 2.895344 -3.211090
H -2.128238 1.426033 -2.576114
H 0.023561 3.738789 -0.370130
H 0.631255 3.922505 -2.046313
H 1.583102 3.005725 -0.842520
H -2.072771 -2.882307 -1.313351
H -0.339058 -3.219048 -1.619222
H -0.150091 1.259215 2.282229
H 1.734716 0.955017 3.825159
H 1.725160 0.193974 -2.188530
H 3.997190 0.276925 2.955959
H 5.440307 -0.312559 1.122512
H 3.948476 -0.467643 -2.949953
H -3.574195 1.775523 1.859418
H -4.352620 0.176272 1.481067
H 0.414929 -3.773347 1.361583
H 0.833407 -4.872509 -0.000286
H -0.145314 -5.466021 1.391122
H -1.234283 -5.734789 -1.468306
H -2.016559 -6.178557 0.090342
H -2.837224 -5.046015 -1.024379
H 5.851865 -0.732569 -1.316720
H -4.464069 2.712382 -0.347076
H -6.743551 1.873362 -0.879652
H -6.473098 0.398585 0.233544


