%chk=000181454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181454

0 1
O -0.375441 0.918689 2.255990
O -0.650969 -2.308926 2.067560
O -2.928080 2.415713 -0.538419
O 1.259656 3.103626 0.313824
O 3.841280 2.785657 -0.206629
O -4.929313 1.281142 -1.117337
N 1.016559 -3.080001 -0.097343
C 0.372528 -1.723650 -0.098629
C 1.328851 -0.556690 0.062688
C 2.704148 -0.761198 -0.151346
C 0.846288 0.755668 0.298606
C 2.256214 -3.097509 -0.933351
C 3.265200 -2.147982 -0.280410
C -0.517670 1.147477 0.833681
C -0.702108 -1.744786 1.012275
C -1.735938 0.415356 0.330893
C -1.911303 -0.981193 0.526859
C 1.748223 1.826107 0.177931
C 3.608096 0.315871 -0.223351
C 0.049329 -4.111359 -0.582501
C 3.124720 1.606572 -0.089997
C -2.811080 1.068350 -0.233210
C -3.090918 -1.643055 0.218179
C -4.021220 0.384420 -0.575629
C -4.195337 -0.960904 -0.351372
C -4.266176 2.588907 -1.112537
C 5.277025 2.695106 -0.032631
H -0.150312 -1.532844 -1.085954
H 2.082957 -2.813849 -1.993272
H 2.658220 -4.134628 -0.933597
H 4.213339 -2.156849 -0.850291
H 3.512510 -2.518172 0.743401
H -0.677145 2.256786 0.706359
H 4.665102 0.127253 -0.390260
H -0.367037 -3.931376 -1.583639
H -0.779346 -4.191654 0.141824
H 0.547261 -5.095367 -0.583976
H -3.184999 -2.712407 0.415903
H -5.120373 -1.477414 -0.591355
H -1.247322 0.814145 2.688451
H -4.146350 2.911037 -2.155688
H -4.834726 3.253362 -0.448051
H 2.007822 3.766782 0.323989
H 5.517580 2.235001 0.930422
H 5.573208 3.751795 -0.054322
H 5.718948 2.146086 -0.868738


%chk=000181454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181454

0 1
O -0.852137 2.085237 1.183642
O -0.553681 -2.659913 1.753813
O -3.232944 2.134660 -0.961344
O 1.379165 3.131804 0.218430
O 3.965585 2.716899 0.409962
O -5.332730 1.060545 -0.551150
N 1.034310 -3.060291 -0.533514
C 0.396122 -1.750052 -0.352804
C 1.365269 -0.590675 -0.085605
C 2.762477 -0.841144 0.007191
C 0.866238 0.746312 0.008963
C 2.396288 -3.060018 -1.083852
C 3.299250 -2.254609 -0.139645
C -0.592479 1.240476 -0.023139
C -0.657561 -1.839206 0.808103
C -1.793564 0.305374 -0.000781
C -1.871963 -0.993189 0.598489
C 1.812718 1.786835 0.160117
C 3.678192 0.224121 0.184154
C 0.129612 -4.060738 -1.115865
C 3.201522 1.539072 0.256392
C -3.026913 0.875820 -0.341110
C -3.122460 -1.609487 0.867835
C -4.267097 0.249990 -0.095873
C -4.353483 -0.997788 0.525978
C -4.699143 2.353953 -0.930677
C 5.413539 2.568678 0.566440
H -0.196648 -1.471977 -1.263930
H 2.456081 -2.636123 -2.119954
H 2.739208 -4.110082 -1.137175
H 4.336726 -2.229804 -0.523143
H 3.310217 -2.767753 0.840997
H -0.687904 1.895541 -0.916276
H 4.748421 0.003452 0.245503
H -0.187278 -3.818125 -2.162224
H -0.777515 -4.156741 -0.494085
H 0.628354 -5.045657 -1.126906
H -3.112798 -2.595335 1.342300
H -5.315371 -1.473210 0.730777
H -0.252349 2.878759 1.087957
H -5.042289 2.639636 -1.936931
H -4.937269 3.108450 -0.158073
H 2.182360 3.709506 0.321896
H 5.651715 1.959810 1.459041
H 5.802304 3.589287 0.694809
H 5.861806 2.106797 -0.333735


