%chk=000297101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297101

0 1
O 1.803666 0.478716 0.694008
O -1.401774 -0.080717 0.676176
O 0.003145 1.818460 3.387108
O 1.729044 -0.227107 2.844127
O -1.975231 0.082333 2.862145
N 4.263439 -1.889855 -1.665427
N -4.396303 -1.527462 -1.802441
C 3.042340 -0.297646 0.431543
C -2.570861 -0.946102 0.376776
C 2.651164 -1.759178 0.219712
C 3.566700 0.351156 -0.848372
C -2.106978 -1.718131 -0.857243
C -3.753985 -0.029424 0.072877
C 3.828178 -2.539486 -0.383833
C 4.721673 -0.480542 -1.425883
C -3.288579 -2.484567 -1.471269
C -4.895063 -0.832332 -0.568807
C -0.006658 1.300272 2.064888
C 5.354005 -2.685662 -2.303842
C -5.516181 -2.247399 -2.478794
C 1.269727 0.425637 1.935909
C -1.252376 0.379943 1.943843
C -0.064527 2.486881 1.129976
C -0.100015 2.280617 -0.257570
C -0.086665 3.787599 1.650467
C -0.159176 3.376988 -1.119477
C -0.145665 4.880667 0.780870
C -0.182502 4.677137 -0.601707
H 3.713066 -0.156617 1.304186
H -2.745798 -1.593809 1.261008
H 2.334287 -2.218421 1.176259
H 1.774617 -1.813240 -0.459513
H 2.741216 0.422293 -1.589754
H 3.890873 1.390878 -0.658132
H -1.690109 -1.005793 -1.602475
H -1.283315 -2.409927 -0.604824
H -3.428311 0.780157 -0.615092
H -4.106441 0.472925 0.994009
H 3.497339 -3.574056 -0.623296
H 4.648445 -2.627280 0.361096
H 5.607700 -0.417944 -0.757882
H 5.024719 -0.051414 -2.406575
H -3.607752 -3.302721 -0.790233
H -2.958816 -2.962893 -2.420115
H -5.704279 -0.134023 -0.877500
H -5.336382 -1.529140 0.176152
H 4.976205 -3.697016 -2.526230
H 6.272652 -2.782435 -1.707025
H 5.614624 -2.225306 -3.270896
H -6.288650 -1.515914 -2.767904
H -5.993411 -3.036931 -1.880246
H -5.141222 -2.697178 -3.412657
H -0.053700 1.078660 4.056310
H -0.077434 1.260634 -0.654096
H -0.058962 3.941222 2.732933
H -0.188205 3.218299 -2.196080
H -0.163395 5.891471 1.184788
H -0.229697 5.530222 -1.276679


%chk=000297101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297101

0 1
O 1.779445 0.613182 0.592852
O -1.267888 -0.120766 0.719368
O 0.092401 1.855049 3.475518
O 1.552612 -0.329715 2.710093
O -2.272533 0.589744 2.704823
N 4.287971 -1.879175 -1.774619
N -4.253092 -1.889471 -1.748771
C 2.906101 -0.337098 0.267518
C -2.492467 -0.920163 0.355284
C 2.328806 -1.664210 -0.248849
C 3.766020 0.352554 -0.795014
C -2.034175 -2.007177 -0.621004
C -3.547909 -0.002373 -0.281087
C 3.482422 -2.566544 -0.737982
C 4.873080 -0.617667 -1.262316
C -3.263940 -2.797033 -1.121386
C -4.726202 -0.856473 -0.796604
C -0.006594 1.446565 2.087563
C 5.303032 -2.766212 -2.375454
C -5.367306 -2.623876 -2.379211
C 1.190866 0.483053 1.818750
C -1.322218 0.607617 1.900757
C -0.076628 2.712402 1.219535
C -0.210213 2.635752 -0.189666
C -0.042173 3.979576 1.849759
C -0.292218 3.817041 -0.957380
C -0.123663 5.159126 1.075818
C -0.248271 5.083850 -0.329657
H 3.474751 -0.506406 1.202644
H -2.887447 -1.360564 1.291984
H 1.762436 -2.173596 0.551144
H 1.644610 -1.455855 -1.091482
H 3.131834 0.626996 -1.656955
H 4.214501 1.276402 -0.387199
H -1.530044 -1.534777 -1.483750
H -1.317060 -2.689459 -0.128457
H -3.092659 0.538325 -1.130761
H -3.910902 0.735842 0.455619
H 3.066252 -3.493843 -1.172840
H 4.115440 -2.868682 0.139558
H 5.582011 -0.810925 -0.412373
H 5.457397 -0.145917 -2.073254
H -3.715225 -3.365022 -0.263440
H -2.943348 -3.541722 -1.872738
H -5.453032 -0.205477 -1.315803
H -5.261185 -1.318395 0.076333
H 4.810129 -3.652222 -2.814234
H 6.070258 -3.125491 -1.643028
H 5.829997 -2.232760 -3.186648
H -6.034132 -1.912887 -2.898874
H -5.985516 -3.206751 -1.649721
H -4.970750 -3.329785 -3.130788
H 0.289719 1.044477 4.017154
H -0.239426 1.659979 -0.681316
H 0.044782 4.024489 2.937526
H -0.389849 3.747784 -2.046758
H -0.094220 6.134865 1.573784
H -0.314181 5.999317 -0.928668


