%chk=000258501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258501

0 1
S 6.180901 0.407006 0.387326
O 6.423933 1.798202 0.710508
O 6.724595 -0.659019 1.204706
N 6.848457 0.173738 -1.181448
N 0.394183 -0.529302 -0.580091
N -0.513308 -0.276736 0.227082
N -2.355693 -1.720747 -0.057045
N -2.901091 1.594561 0.310925
N -3.697571 -1.915482 -0.279844
N -3.517991 2.773445 -0.043440
N -4.378907 4.848880 0.655534
N -4.242998 3.112607 2.301179
N -5.565743 -3.325527 -0.101389
N -3.411006 -4.362107 0.008716
C 4.490648 0.153211 0.162980
C 3.950897 -1.127368 0.332557
C 3.662687 1.228436 -0.178588
C 1.766110 -0.262112 -0.211555
C 2.586210 -1.346744 0.147533
C 2.294404 1.031173 -0.366975
C -1.894286 -0.507908 -0.183266
C -2.598404 0.748402 -0.628628
C -2.855835 0.797845 -2.097619
C -4.151608 -3.163066 -0.114796
C -3.998727 3.508410 0.961658
H 4.598990 -1.963071 0.623977
H 4.083648 2.235657 -0.285693
H 2.159939 -2.341059 0.277505
H 1.643544 1.866575 -0.625270
H 7.252181 0.977985 -1.656046
H 7.444697 -0.636244 -1.334291
H -1.961955 0.546253 -2.683553
H -3.196468 1.795991 -2.416303
H -3.646259 0.078779 -2.369633
H -5.264963 5.147753 1.049674
H -4.323724 5.079087 -0.336264
H -3.773685 2.252234 2.585451
H -4.180440 3.830797 3.012289
H -5.921946 -4.114774 -0.629870
H -6.086868 -2.473079 -0.309355
H -2.421493 -4.244025 0.219657
H -3.829853 -5.119755 0.533304


%chk=000258501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258501

0 1
S 5.789154 0.711318 0.509115
O 5.941096 2.273816 0.067752
O 6.394602 0.111838 1.899282
N 6.552299 -0.280498 -0.850972
N -0.104043 -0.811629 0.348370
N -0.905322 0.019818 -0.277394
N -2.442939 -1.718104 -0.633115
N -2.802429 1.784773 0.182292
N -3.725963 -2.199204 -0.872441
N -3.668199 2.887807 0.253620
N -3.750567 5.085601 1.029628
N -1.721829 3.859972 1.263289
N -4.852164 -4.191100 -1.315960
N -2.493749 -4.253391 -0.958471
C 3.970209 0.259012 0.424998
C 3.521731 -0.820755 1.203958
C 3.132769 1.035822 -0.398112
C 1.269216 -0.386150 0.324161
C 2.150944 -1.141787 1.143191
C 1.766884 0.705573 -0.447091
C -2.258873 -0.408447 -0.433845
C -3.246591 0.692057 -0.431062
C -4.613872 0.570979 -1.066895
C -3.663787 -3.552029 -1.050906
C -3.028637 3.923864 0.848058
H 4.216414 -1.368826 1.847765
H 3.543434 1.879935 -0.961563
H 1.733826 -1.968499 1.726549
H 1.061964 1.270294 -1.064728
H 6.969392 0.384063 -1.524698
H 7.249719 -0.912594 -0.422483
H -4.550001 0.065001 -2.044225
H -5.047281 1.577898 -1.174845
H -5.283694 -0.046379 -0.442145
H -3.340447 5.937256 1.398661
H -4.715737 5.078891 0.709335
H -1.283883 2.949116 1.082159
H -1.240060 4.602222 1.759768
H -4.934747 -5.200481 -1.385855
H -5.682591 -3.605050 -1.368961
H -1.687007 -3.650402 -0.744924
H -2.404043 -5.252703 -1.109662


