%chk=000179248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179248

0 1
O 3.626193 0.027073 1.315303
O 3.657881 -2.159321 0.824806
O 2.534883 2.231416 -1.555416
O 1.477124 3.372517 0.054157
O -5.357667 0.709330 0.265095
N 1.727966 -1.797542 -1.282400
N -3.579276 -0.125739 -0.857319
C 0.993678 0.073431 0.129082
C -0.064699 -1.066544 0.238620
C 2.229468 -0.636188 -0.496234
C 0.304134 -2.055341 -0.895604
C 0.542633 1.247688 -0.749616
C -1.486926 -0.588039 0.234029
C 3.221552 -1.059674 0.582396
C -2.266326 -0.574028 -0.898857
C -2.057177 -0.118126 1.471664
C 1.503960 2.396852 -0.653668
C -3.338669 0.326262 1.529507
C -4.200318 0.348600 0.357876
H 1.234572 0.462671 1.148325
H 0.115554 -1.592310 1.214618
H 2.776375 0.046653 -1.214673
H 0.131139 -3.104261 -0.589073
H -0.304050 -1.883839 -1.812386
H 2.312126 -2.631315 -1.125514
H 0.437432 0.915447 -1.807773
H -0.464574 1.603816 -0.431570
H -1.883542 -0.915874 -1.870913
H -1.429923 -0.125014 2.367106
H -4.145742 -0.131366 -1.709053
H -3.795995 0.689422 2.451362
H 4.299141 -0.203803 2.013388
H 3.201075 2.969946 -1.519965


%chk=000179248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179248

0 1
O 3.172984 -0.602966 2.046522
O 3.280180 -2.651068 0.959022
O 1.309771 3.406374 -1.770494
O 2.819320 2.471667 -0.278142
O -5.423894 0.678351 0.483026
N 1.893142 -1.602951 -1.312460
N -3.703787 -0.475103 -0.611068
C 1.095623 0.128742 0.099483
C 0.021364 -1.017687 0.106433
C 2.369588 -0.686453 -0.258668
C 0.441439 -1.894144 -1.111154
C 0.795910 1.203146 -0.965240
C -1.424800 -0.558473 0.177100
C 2.965274 -1.439312 0.946702
C -2.396394 -0.906218 -0.752172
C -1.859277 0.255502 1.292573
C 1.756484 2.374964 -0.931819
C -3.168336 0.686678 1.430973
C -4.199707 0.339963 0.456666
H 1.209448 0.600702 1.088943
H 0.223453 -1.609542 1.025150
H 3.166944 -0.009376 -0.619386
H 0.249338 -2.966709 -0.913104
H -0.122318 -1.613071 -2.023971
H 2.484060 -2.431392 -1.440712
H 0.843370 0.761856 -1.979982
H -0.228424 1.601044 -0.847743
H -2.189979 -1.531938 -1.623855
H -1.121015 0.535103 2.055095
H -4.411088 -0.740382 -1.304118
H -3.490189 1.300445 2.276429
H 3.628291 -1.110897 2.772749
H 1.965225 4.155946 -1.745479


