%chk=000219686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219686

0 1
O 3.084470 -0.011033 -0.130226
O -3.032335 2.423738 0.452144
O -0.237443 -3.420325 -0.618154
O -2.329747 -2.584587 -0.412543
O 3.703144 2.235902 0.227080
N -2.592019 0.142429 0.057726
N -1.026134 -2.424426 -0.423956
C -1.193814 0.128370 0.015595
C -0.434427 -1.089823 -0.213209
C -0.441323 1.326056 0.196582
C 1.670301 0.134895 -0.065653
C 0.979463 -1.067122 -0.250134
C 0.959194 1.344507 0.159530
C -3.442722 1.242132 0.269259
C -4.919433 0.863506 0.273265
C 4.017351 1.048002 0.024945
C 5.413592 0.483104 -0.082504
H -0.996104 2.250648 0.367942
H 1.523235 -1.998258 -0.423777
H 1.496317 2.282754 0.301735
H -3.014485 -0.793790 -0.087580
H -5.185080 0.238759 -0.598356
H -5.521281 1.783308 0.259244
H -5.168940 0.292193 1.186758
H 5.624975 -0.160014 0.790453
H 6.141456 1.306249 -0.113266
H 5.508790 -0.145372 -0.983402


%chk=000219686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219686

0 1
O 3.098898 -0.005517 -0.140934
O -3.089935 2.383182 0.532335
O -0.329413 -3.382690 -0.714321
O -2.377410 -2.437328 -0.451121
O 3.739754 2.215516 0.327242
N -2.577872 0.128770 0.068959
N -1.067432 -2.354983 -0.479896
C -1.175112 0.149463 0.028067
C -0.426998 -1.053976 -0.237887
C -0.421333 1.340657 0.243406
C 1.685806 0.146598 -0.063018
C 0.986144 -1.046196 -0.281428
C 0.981341 1.353111 0.201921
C -3.461537 1.195194 0.309100
C -4.932353 0.798686 0.280165
C 4.041940 1.037466 0.059244
C 5.431353 0.470552 -0.108453
H -0.973416 2.260293 0.444842
H 1.520896 -1.976038 -0.485852
H 1.524184 2.283123 0.373103
H -2.971298 -0.813445 -0.105807
H -5.099408 -0.268056 0.057087
H -5.453217 1.409801 -0.477011
H -5.387160 1.036201 1.257448
H 5.597482 -0.349500 0.611194
H 6.173937 1.264897 0.051579
H 5.549160 0.046021 -1.120468


