%chk=000201605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201605

0 1
O 1.386293 0.882271 0.280320
O 0.553916 -3.039228 0.156224
O -5.065894 1.233356 -0.371010
N 2.090629 -1.545272 -0.624650
N -3.916491 -0.762430 -0.436174
C -0.204965 -0.797513 -0.111589
C 3.196403 -2.531340 -0.575439
C 4.111409 -2.330265 0.643840
C 0.054282 0.571641 0.108492
C 0.829517 -1.882679 -0.141291
C -1.532795 -1.204573 -0.282659
C -2.583598 -0.268814 -0.252263
C -0.986025 1.512334 0.142303
C -2.301736 1.094529 -0.041031
C 4.971281 -1.074876 0.546850
C 1.746162 2.269198 0.581702
C -5.086563 0.022897 -0.483937
C 3.227870 2.204233 0.779904
C -6.343928 -0.776062 -0.686564
C 3.981787 3.280426 0.980692
H 3.774263 -2.446373 -1.521802
H 2.758835 -3.560429 -0.548898
H 4.761258 -3.222301 0.750011
H 3.497965 -2.299512 1.567953
H -1.729157 -2.273125 -0.427705
H 2.364002 -0.568321 -0.736897
H -0.787752 2.567879 0.308332
H -3.117015 1.831084 -0.019168
H 5.555296 -1.050969 -0.379865
H 5.678799 -1.016810 1.382382
H 4.356701 -0.158541 0.577660
H -3.996919 -1.776034 -0.534312
H 1.451758 2.898166 -0.278385
H 1.211255 2.581057 1.498481
H 3.643797 1.181492 0.751362
H -6.344110 -1.331565 -1.633706
H -7.213865 -0.097120 -0.715462
H -6.526484 -1.489937 0.127718
H 5.052281 3.229491 1.130298
H 3.601835 4.291935 1.014681


%chk=000201605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201605

0 1
O 1.484230 1.133853 0.135367
O 0.589297 -2.924547 -0.831784
O -5.192861 1.120580 0.069356
N 2.263661 -1.324631 -0.594004
N -3.845355 -0.745488 -0.390398
C -0.100687 -0.648323 -0.339974
C 3.360145 -2.281369 -0.803060
C 3.958941 -2.816562 0.522877
C 0.137841 0.715728 0.012811
C 0.943375 -1.718889 -0.601417
C -1.441182 -1.074420 -0.457248
C -2.535015 -0.204497 -0.243953
C -0.951185 1.592682 0.224522
C -2.282508 1.148530 0.099503
C 4.566162 -1.708923 1.410218
C 1.759832 2.521386 0.580131
C -5.075331 -0.102716 -0.238966
C 3.246694 2.641333 0.781027
C -6.280168 -1.012595 -0.483157
C 4.016564 3.571665 0.165830
H 4.150617 -1.780821 -1.395846
H 2.956926 -3.121978 -1.393676
H 4.736513 -3.564889 0.270423
H 3.164070 -3.352728 1.074699
H -1.582321 -2.131104 -0.720339
H 2.461752 -0.340384 -0.378500
H -0.780162 2.640738 0.484926
H -3.120128 1.828534 0.262920
H 5.377918 -1.172464 0.881403
H 4.989869 -2.129375 2.340184
H 3.795200 -0.969299 1.697243
H -3.878544 -1.736788 -0.641123
H 1.395381 3.237069 -0.182260
H 1.218119 2.697065 1.532869
H 3.691057 1.933322 1.494197
H -6.286870 -1.399747 -1.519069
H -7.197318 -0.429283 -0.319004
H -6.280079 -1.877230 0.206287
H 5.089944 3.650873 0.368503
H 3.595908 4.283591 -0.555116


