%chk=000185598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185598

0 1
O 0.414719 0.310617 -0.156536
O 0.149090 -2.065017 0.319783
O -1.883155 -3.025909 0.134536
O 1.050036 2.414158 0.451638
N -3.635628 0.659107 -0.920295
C -3.074399 1.854096 -0.206170
C -3.227550 -0.467537 -0.014562
C -3.586133 1.607981 1.241055
C -3.697108 0.069819 1.366050
C -1.518474 1.871473 -0.232203
C -1.703180 -0.632822 0.006870
C -0.957652 0.495032 -0.086282
C -3.247664 0.509771 -2.343141
C -1.226966 -2.005231 0.144415
C 1.369809 1.308803 0.096737
C 2.713066 0.744874 -0.141045
C 0.704722 -3.392760 0.519497
C 3.823174 1.594286 0.015902
C 2.890470 -0.596953 -0.512040
C 5.107164 1.095747 -0.204606
C 4.180245 -1.086492 -0.731026
C 5.285066 -0.242481 -0.578459
H -3.472770 2.790065 -0.648139
H -3.725598 -1.416181 -0.313002
H -4.570143 2.084746 1.384556
H -2.911492 2.033080 1.997981
H -3.081783 -0.326005 2.187677
H -4.736364 -0.239951 1.564654
H -1.131159 2.539517 0.573314
H -1.149783 2.336513 -1.169578
H -2.173964 0.356772 -2.527569
H -3.577397 1.400348 -2.901373
H -3.788617 -0.358420 -2.759092
H 0.034399 -4.005899 1.134384
H 1.650410 -3.192273 1.031272
H 0.850374 -3.854300 -0.460959
H 3.671763 2.636350 0.309594
H 2.010200 -1.247115 -0.620127
H 5.971775 1.747813 -0.085289
H 4.323786 -2.126375 -1.021805
H 6.291108 -0.627347 -0.750618


%chk=000185598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185598

0 1
O 0.443212 0.319716 -0.634513
O 0.098449 -2.034170 0.701383
O -1.970871 -3.011071 0.273936
O 0.999996 1.462942 1.331167
N -3.722726 0.614367 -0.926426
C -3.068689 1.851350 -0.407816
C -3.258944 -0.415124 0.037357
C -3.391836 1.771805 1.117381
C -3.650367 0.247807 1.387699
C -1.525350 1.824443 -0.662570
C -1.723445 -0.620219 -0.023776
C -0.955141 0.454532 -0.371647
C -3.576257 0.317774 -2.360717
C -1.240336 -1.984049 0.299243
C 1.362688 0.845059 0.305780
C 2.767664 0.569378 -0.100802
C 0.597224 -3.381596 1.068793
C 3.808530 1.100262 0.705671
C 3.082691 -0.205843 -1.247085
C 5.155092 0.860048 0.365902
C 4.432322 -0.442839 -1.582693
C 5.469299 0.088850 -0.779203
H -3.503189 2.746222 -0.887708
H -3.752037 -1.385982 -0.132865
H -4.290258 2.366737 1.351694
H -2.556330 2.163287 1.722816
H -3.057706 -0.139439 2.233626
H -4.717560 0.057731 1.590929
H -1.026710 2.567062 -0.011041
H -1.274542 2.098842 -1.707802
H -2.527084 0.138761 -2.696121
H -3.986646 1.159672 -2.947246
H -4.164468 -0.584720 -2.604122
H 0.008573 -3.791394 1.906895
H 1.644527 -3.218801 1.359327
H 0.522608 -4.066946 0.207646
H 3.540146 1.691358 1.587617
H 2.270388 -0.615538 -1.853129
H 5.957561 1.270568 0.988019
H 4.677451 -1.041431 -2.466637
H 6.516468 -0.097509 -1.042964


