%chk=000230369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230369

0 1
O 4.237397 -1.760303 -0.287083
O -3.246377 -1.066137 0.266918
O -4.039482 1.025881 0.003000
N 0.226251 2.115956 -0.072521
C 1.251510 1.105117 -0.080027
C -1.144878 1.861131 -0.017552
C 2.284490 1.175595 0.865674
C 1.239512 0.087038 -1.059213
C 3.296235 -0.767947 -0.131792
C 3.321550 0.238085 0.840731
C 2.257397 -0.853466 -1.086466
C -1.978575 3.100342 -0.095088
C -1.654634 0.601358 0.104056
C -3.065222 0.297339 0.111808
C -4.634623 -1.538417 0.294156
C -4.506058 -3.038850 0.458137
C 5.339226 -1.801549 0.651636
H 0.553403 3.078634 -0.037734
H 2.285101 1.955365 1.626681
H 0.427311 0.042184 -1.788490
H 4.119590 0.300017 1.573665
H 2.274966 -1.654578 -1.824285
H -1.919694 3.696910 0.825293
H -1.721641 3.743820 -0.945354
H -3.059072 2.847652 -0.216258
H -1.004343 -0.269270 0.222952
H -5.141958 -1.044016 1.140174
H -5.112886 -1.237271 -0.653602
H -5.488917 -3.520538 0.499096
H -3.940642 -3.482535 -0.372622
H -3.960941 -3.292403 1.377682
H 5.941630 -0.892458 0.571683
H 5.900170 -2.676957 0.297362
H 4.968104 -1.960829 1.668082


%chk=000230369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230369

0 1
O 4.494633 -1.764934 -0.236213
O -3.461045 -1.104109 0.199748
O -4.169976 1.106354 -0.073629
N 0.216131 1.939549 0.123151
C 1.267360 0.974939 0.065325
C -1.169231 1.765592 0.073730
C 2.453153 1.221300 0.800662
C 1.204115 -0.181436 -0.761726
C 3.473730 -0.813043 -0.087034
C 3.557370 0.344606 0.724578
C 2.292038 -1.066344 -0.828729
C -1.922262 3.078894 -0.032089
C -1.777091 0.521768 0.128643
C -3.214958 0.286213 0.069195
C -4.892809 -1.505470 0.170581
C -4.924956 -3.025583 0.306738
C 5.734046 -1.547651 0.512560
H 0.522998 2.904104 0.267325
H 2.513513 2.104125 1.448994
H 0.316662 -0.372473 -1.370548
H 4.457290 0.567654 1.304964
H 2.252735 -1.957019 -1.462912
H -1.593227 3.781911 0.758444
H -1.728326 3.556718 -1.011449
H -3.003832 2.908549 0.060353
H -1.175157 -0.378871 0.266847
H -5.421547 -0.997772 0.998612
H -5.341155 -1.157645 -0.778476
H -5.970890 -3.383683 0.293648
H -4.381680 -3.506091 -0.525195
H -4.458929 -3.344958 1.254834
H 6.226953 -0.602548 0.210813
H 6.379148 -2.400071 0.254284
H 5.549097 -1.537676 1.604670


