%chk=000253374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253374

0 1
O 2.359407 1.710183 -1.254676
O 1.809745 -2.985664 -0.655841
O -0.196570 2.918674 2.812541
O -2.094148 -0.227627 0.816761
O -3.677350 3.096582 -0.184272
O -4.436665 -3.464547 -1.441710
N 3.883854 1.522379 0.480481
N 2.690221 -1.447088 0.839188
N 1.563113 1.848520 0.931060
N 0.371993 -1.432810 0.286722
N -1.938640 3.039476 1.344851
N -3.274633 -1.825334 -0.294687
N -1.615658 2.430058 -0.960346
N -2.142672 -3.656112 -1.362703
C 4.402050 -0.595754 -0.818928
C 4.869260 0.794021 -0.364847
C 4.072543 -1.583243 0.308248
C 2.591511 1.720603 -0.056141
C 1.642114 -2.023140 0.080367
C 0.237200 2.241080 0.549519
C -0.834448 -2.018838 -0.186796
C -0.587321 2.737919 1.675757
C -2.057021 -1.261930 0.177501
C -0.281248 2.100687 -0.705867
C -0.903932 -3.161814 -0.930119
C -2.512626 2.863583 0.060216
C -3.374610 -3.018867 -1.061911
H 3.524238 -0.484436 -1.497246
H 5.189989 -1.036777 -1.465178
H 5.067875 1.421605 -1.269608
H 5.820801 0.732139 0.206800
H 4.193299 -2.630666 -0.069010
H 4.770381 -1.468853 1.166459
H 3.990091 1.370103 1.482567
H 2.505277 -0.581629 1.343693
H 1.819194 2.202172 1.869172
H 0.251863 -0.605532 0.887222
H 0.320572 1.745181 -1.564730
H -0.003569 -3.739259 -1.220802
H -2.569996 3.340049 2.103162
H -4.158034 -1.344172 -0.061035
H -2.000319 2.307487 -1.901035
H -2.178029 -4.516805 -1.916398


%chk=000253374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253374

0 1
O 2.477789 1.751558 -1.290640
O 1.830153 -3.279399 -0.671712
O -0.176544 2.631425 2.838781
O -1.908102 -0.199782 0.602930
O -3.774525 3.189287 -0.128315
O -4.650053 -3.558139 -1.205279
N 3.786908 1.388727 0.618413
N 2.676879 -1.425507 0.495919
N 1.582732 2.157023 0.843897
N 0.372316 -1.652994 0.201493
N -1.951849 2.960537 1.339434
N -3.253012 -1.897150 -0.293277
N -1.621274 2.802700 -0.977512
N -2.324216 -3.882830 -1.121752
C 4.628977 -0.535609 -0.821548
C 4.923505 0.831223 -0.150979
C 4.085010 -1.636485 0.124343
C 2.615449 1.789722 -0.027719
C 1.649345 -2.192247 -0.035525
C 0.259170 2.470695 0.473757
C -0.847697 -2.223668 -0.189969
C -0.611028 2.685616 1.642464
C -2.008844 -1.356977 0.080149
C -0.263338 2.537461 -0.799475
C -1.035849 -3.453801 -0.789170
C -2.545645 2.990496 0.061449
C -3.498119 -3.150613 -0.898442
H 3.914829 -0.389036 -1.650523
H 5.579737 -0.889754 -1.267641
H 5.227642 1.550892 -0.935069
H 5.764235 0.728414 0.560069
H 4.128683 -2.618770 -0.376687
H 4.704075 -1.700474 1.041862
H 3.936861 1.631521 1.599023
H 2.458197 -0.550891 0.974388
H 1.711240 2.197459 1.865842
H 0.258746 -0.723349 0.625512
H 0.352691 2.370719 -1.683346
H -0.192707 -4.103538 -1.025612
H -2.594391 3.074298 2.129159
H -4.081854 -1.319871 -0.117337
H -2.018323 2.825728 -1.917922
H -2.458697 -4.793009 -1.565032


