%chk=000228967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228967

0 1
O 2.844485 -0.037734 1.487658
O 2.284417 2.976015 0.362203
O 3.213515 0.705660 -1.916347
O 4.598399 -1.502023 -1.328710
N 0.569147 -0.111556 0.970581
N -0.701310 -2.026229 1.006294
N -1.102165 1.461938 -0.046804
N -3.184242 0.395467 -0.526043
N -3.855359 -1.734516 -0.229058
N -4.489638 0.266618 -0.967804
N -4.835686 -0.965211 -0.780808
C 1.727764 0.799163 1.187590
C 2.075826 1.638923 -0.076797
C 3.440843 1.090459 -0.564793
C 3.767818 -0.109734 0.361222
C 3.578642 -1.478685 -0.306231
C -0.674413 0.220942 0.426698
C 0.497439 -1.490610 1.312040
C -1.451617 -0.991195 0.457449
C -2.780604 -0.929525 -0.042545
C -2.333042 1.534598 -0.509519
H 1.560351 1.416860 2.106694
H 1.315484 1.591204 -0.889211
H 4.228978 1.876618 -0.539280
H 4.767128 -0.024972 0.842998
H 2.584341 -1.578862 -0.781114
H 3.748298 -2.304130 0.407279
H 1.331499 -2.007299 1.776493
H 1.510925 3.537754 0.119630
H 3.954789 0.116298 -2.240115
H 4.580961 -2.363185 -1.798107
H -2.747574 2.479250 -0.900842


%chk=000228967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228967

0 1
O 2.566552 -0.811598 0.873286
O 1.547838 2.440916 -0.397799
O 3.647091 0.366667 -2.073215
O 5.853892 -0.652992 -0.799266
N 0.241239 -0.435379 0.712592
N -1.387217 -2.034816 0.958474
N -1.147613 1.480072 -0.042106
N -3.439924 0.907291 -0.177602
N -4.530829 -1.023992 0.246041
N -4.826138 1.153636 -0.435869
N -5.431080 -0.017314 -0.170617
C 1.555868 0.229396 0.751537
C 1.889777 1.041247 -0.541306
C 3.413403 0.852147 -0.716651
C 3.830436 -0.179750 0.386437
C 4.719322 -1.317819 -0.119000
C -0.963293 0.175778 0.371263
C -0.067730 -1.756215 1.057912
C -1.960476 -0.836556 0.534563
C -3.298858 -0.442724 0.238676
C -2.406840 1.823068 -0.312150
H 1.588966 0.920327 1.622673
H 1.393582 0.565606 -1.411386
H 3.926839 1.817060 -0.546279
H 4.310953 0.345800 1.235399
H 4.146502 -1.941392 -0.830456
H 5.072431 -1.934375 0.728324
H 0.703809 -2.457480 1.360152
H 0.545634 2.485054 -0.353866
H 4.623798 0.169565 -2.139966
H 6.572677 -1.306146 -0.980956
H -2.665213 2.827222 -0.648138


